N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide

C19H30N2O2 — CID 91835840

IUPACN-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
SMILESCN(CCC(O)c1ccccc1)CC(=O)NC1CCCCCC1
InChIInChI=1S/C19H30N2O2/c1-21(14-13-18(22)16-9-5-4-6-10-16)15-19(23)20-17-11-7-2-3-8-12-17/h4-6,9-10,17-18,22H,2-3,7-8,11-15H2,1H3,(H,20,23)
InChIKeyYXGRBBDAIXJWDY-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.88
Rot. Bonds7

About N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide

N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide (PubChem CID 91835840) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
PubChem CID91835840
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
SMILESCN(CCC(O)c1ccccc1)CC(=O)NC1CCCCCC1
InChIInChI=1S/C19H30N2O2/c1-21(14-13-18(22)16-9-5-4-6-10-16)15-19(23)20-17-11-7-2-3-8-12-17/h4-6,9-10,17-18,22H,2-3,7-8,11-15H2,1H3,(H,20,23)
InChIKeyYXGRBBDAIXJWDY-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-phenylpropanoic acid
CID 64567705
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150806
N-cyclopropyl-2-[(3-hydrazinyl-3-oxo-2-phenylpropyl)-methylamino]acetamide
CID 64566681
N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
CID 109478424
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide (CID 91835840) is N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide is CN(CCC(O)c1ccccc1)CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide?
The InChIKey is YXGRBBDAIXJWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-21(14-13-18(22)16-9-5-4-6-10-16)15-19(23)20-17-11-7-2-3-8-12-17/h4-6,9-10,17-18,22H,2-3,7-8,11-15H2,1H3,(H,20,23).
What are the key properties of N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide?
N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide is sourced from PubChem (CID 91835840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).