(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide

C47H94N6O6 — CID 161388182

IUPAC(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
SMILESC.CCC[C@@H](C(=O)NCC(C)(C)O)C(C)C.CCC[C@@H](C(=O)NCCN)C(C)C.CCC[C@@H](C(=O)NCCO)C(C)C.CCC[C@@H](C(=O)NCc1ccccn1)C(C)C
InChIInChI=1S/C14H22N2O.C12H25NO2.C10H22N2O.C10H21NO2.CH4/c1-4-7-13(11(2)3)14(17)16-10-12-8-5-6-9-15-12;1-6-7-10(9(2)3)11(14)13-8-12(4,5)15;1-4-5-9(8(2)3)10(13)12-7-6-11;1-4-5-9(8(2)3)10(13)11-6-7-12;/h5-6,8-9,11,13H,4,7,10H2,1-3H3,(H,16,17);9-10,15H,6-8H2,1-5H3,(H,13,14);8-9H,4-7,11H2,1-3H3,(H,12,13);8-9,12H,4-7H2,1-3H3,(H,11,13);1H4/t13-;10-;2*9-;/m1111./s1
InChIKeyVSPZZUJKWZXQOA-UTSZSWKPSA-N
MW839.30 g/mol
LogP7.65
Rot. Bonds24

About (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide

(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide (PubChem CID 161388182) has the molecular formula C47H94N6O6 and a molecular weight of 839.30 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
PubChem CID161388182
Molecular FormulaC47H94N6O6
Molecular Weight839.30 g/mol
Exact Mass838.72
IUPAC Name(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
SMILESC.CCC[C@@H](C(=O)NCC(C)(C)O)C(C)C.CCC[C@@H](C(=O)NCCN)C(C)C.CCC[C@@H](C(=O)NCCO)C(C)C.CCC[C@@H](C(=O)NCc1ccccn1)C(C)C
InChIInChI=1S/C14H22N2O.C12H25NO2.C10H22N2O.C10H21NO2.CH4/c1-4-7-13(11(2)3)14(17)16-10-12-8-5-6-9-15-12;1-6-7-10(9(2)3)11(14)13-8-12(4,5)15;1-4-5-9(8(2)3)10(13)12-7-6-11;1-4-5-9(8(2)3)10(13)11-6-7-12;/h5-6,8-9,11,13H,4,7,10H2,1-3H3,(H,16,17);9-10,15H,6-8H2,1-5H3,(H,13,14);8-9H,4-7,11H2,1-3H3,(H,12,13);8-9,12H,4-7H2,1-3H3,(H,11,13);1H4/t13-;10-;2*9-;/m1111./s1
InChIKeyVSPZZUJKWZXQOA-UTSZSWKPSA-N
XLogP7.65
TPSA195.77 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500839.30
LogP ≤ 57.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide with MolForge

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Related Compounds

N-(2-aminoethyl)-2-propan-2-ylpentanamide;N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 161388181
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
tert-butyl N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamate
CID 14774478
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470
2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
2-methyl-4-oxo-2-propan-2-yl-4-(pyridin-2-ylmethylamino)butanoic acid
CID 43529648
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide?
The IUPAC name of (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide (CID 161388182) is (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide?
The canonical SMILES for (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide is C.CCC[C@@H](C(=O)NCC(C)(C)O)C(C)C.CCC[C@@H](C(=O)NCCN)C(C)C.CCC[C@@H](C(=O)NCCO)C(C)C.CCC[C@@H](C(=O)NCc1ccccn1)C(C)C.
What is the InChIKey of (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide?
The InChIKey is VSPZZUJKWZXQOA-UTSZSWKPSA-N. The full InChI is InChI=1S/C14H22N2O.C12H25NO2.C10H22N2O.C10H21NO2.CH4/c1-4-7-13(11(2)3)14(17)16-10-12-8-5-6-9-15-12;1-6-7-10(9(2)3)11(14)13-8-12(4,5)15;1-4-5-9(8(2)3)10(13)12-7-6-11;1-4-5-9(8(2)3)10(13)11-6-7-12;/h5-6,8-9,11,13H,4,7,10H2,1-3H3,(H,16,17);9-10,15H,6-8H2,1-5H3,(H,13,14);8-9H,4-7,11H2,1-3H3,(H,12,13);8-9,12H,4-7H2,1-3H3,(H,11,13);1H4/t13-;10-;2*9-;/m1111./s1.
What are the key properties of (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide?
(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide has a molecular weight of 839.30 g/mol, XLogP of 7.65, 24 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide is sourced from PubChem (CID 161388182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).