(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide

C17H28N2O — CID 103793979

IUPAC(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-6-16(18)17(20)19-13(4)15-9-7-14(8-10-15)11-12(2)3/h7-10,12-13,16H,5-6,11,18H2,1-4H3,(H,19,20)/t13?,16-/m1/s1
InChIKeyGZCLEPQDHJSSDZ-FQNRMIAFSA-N
MW276.42 g/mol
LogP3.19
Rot. Bonds7

About (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide

(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide (PubChem CID 103793979) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
PubChem CID103793979
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-6-16(18)17(20)19-13(4)15-9-7-14(8-10-15)11-12(2)3/h7-10,12-13,16H,5-6,11,18H2,1-4H3,(H,19,20)/t13?,16-/m1/s1
InChIKeyGZCLEPQDHJSSDZ-FQNRMIAFSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267839
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide
CID 60848149
2-amino-N-[1-(4-ethylphenyl)ethyl]hexanamide
CID 54928586
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
CID 119311275
N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 89455397
3-amino-4-[1-(4-ethylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896081

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide (CID 103793979) is (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide is CCC[C@@H](N)C(=O)NC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide?
The InChIKey is GZCLEPQDHJSSDZ-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-6-16(18)17(20)19-13(4)15-9-7-14(8-10-15)11-12(2)3/h7-10,12-13,16H,5-6,11,18H2,1-4H3,(H,19,20)/t13?,16-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide?
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide has a molecular weight of 276.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide is sourced from PubChem (CID 103793979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).