N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide

C19H28N2O2 — CID 131945632

IUPACN-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
SMILESCC(C)C(NC(=O)CCN1CCCCCC1=O)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-15(2)19(16-9-5-3-6-10-16)20-17(22)12-14-21-13-8-4-7-11-18(21)23/h3,5-6,9-10,15,19H,4,7-8,11-14H2,1-2H3,(H,20,22)
InChIKeyROECUPHHOLZWMB-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.29
Rot. Bonds6

About N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide

N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 131945632) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
PubChem CID131945632
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
SMILESCC(C)C(NC(=O)CCN1CCCCCC1=O)c1ccccc1
InChIInChI=1S/C19H28N2O2/c1-15(2)19(16-9-5-3-6-10-16)20-17(22)12-14-21-13-8-4-7-11-18(21)23/h3,5-6,9-10,15,19H,4,7-8,11-14H2,1-2H3,(H,20,22)
InChIKeyROECUPHHOLZWMB-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2-methyl-1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 95352258
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55763443
N-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 74246576
N-[2-(2-oxopiperidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 110722740
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 125165780
1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111471868
[(1R)-2-naphthalen-1-yl-1-[3-(2-oxopiperidin-1-yl)propanoylamino]ethyl]boronic acid
CID 140880189
3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
CID 131919618
3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide (CID 131945632) is N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide is CC(C)C(NC(=O)CCN1CCCCCC1=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is ROECUPHHOLZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(2)19(16-9-5-3-6-10-16)20-17(22)12-14-21-13-8-4-7-11-18(21)23/h3,5-6,9-10,15,19H,4,7-8,11-14H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide?
N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 316.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 131945632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).