2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide

C23H46N4O3 — CID 166195250

IUPAC2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
SMILESCC(C)CN(C(=O)CN1CCN(CC(=O)N(CC(C)C)C(C)C)CC(O)C1)C(C)C
InChIInChI=1S/C23H46N4O3/c1-17(2)11-26(19(5)6)22(29)15-24-9-10-25(14-21(28)13-24)16-23(30)27(20(7)8)12-18(3)4/h17-21,28H,9-16H2,1-8H3
InChIKeyJIRHOZNOXVDKPD-UHFFFAOYSA-N
MW426.65 g/mol
LogP1.75
Rot. Bonds10

About 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide

2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide (PubChem CID 166195250) has the molecular formula C23H46N4O3 and a molecular weight of 426.65 g/mol. Its IUPAC name is 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
PubChem CID166195250
Molecular FormulaC23H46N4O3
Molecular Weight426.65 g/mol
Exact Mass426.36
IUPAC Name2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
SMILESCC(C)CN(C(=O)CN1CCN(CC(=O)N(CC(C)C)C(C)C)CC(O)C1)C(C)C
InChIInChI=1S/C23H46N4O3/c1-17(2)11-26(19(5)6)22(29)15-24-9-10-25(14-21(28)13-24)16-23(30)27(20(7)8)12-18(3)4/h17-21,28H,9-16H2,1-8H3
InChIKeyJIRHOZNOXVDKPD-UHFFFAOYSA-N
XLogP1.75
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.65
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 110897524
2-(3-hydroxyazetidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63282746
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 119041161
2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 60809013
N-cyclohexyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 78963297
2-(4-aminopiperidin-1-yl)-N-ethyl-N-propan-2-ylacetamide
CID 79333087
2-(3-hydroxyazetidin-1-yl)-N-phenyl-N-propan-2-ylacetamide
CID 63282516
N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
CID 107026462
3-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946125
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 114960951
2-(cyclopropylmethylamino)-N-(2-methylpropyl)-N-propan-2-ylacetamide;hydrochloride
CID 119730933
N,N-diethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963518

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide (CID 166195250) is 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide is CC(C)CN(C(=O)CN1CCN(CC(=O)N(CC(C)C)C(C)C)CC(O)C1)C(C)C.
What is the InChIKey of 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?
The InChIKey is JIRHOZNOXVDKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O3/c1-17(2)11-26(19(5)6)22(29)15-24-9-10-25(14-21(28)13-24)16-23(30)27(20(7)8)12-18(3)4/h17-21,28H,9-16H2,1-8H3.
What are the key properties of 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide?
2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide has a molecular weight of 426.65 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxy-4-[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 166195250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).