2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide

C19H28N2O2 — CID 5150826

IUPAC2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
SMILESCc1ccc(CN(C(=O)C(C)(C)C)C2CCCCNC2=O)cc1
InChIInChI=1S/C19H28N2O2/c1-14-8-10-15(11-9-14)13-21(18(23)19(2,3)4)16-7-5-6-12-20-17(16)22/h8-11,16H,5-7,12-13H2,1-4H3,(H,20,22)
InChIKeyAHJGTLXVODONFL-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.04
Rot. Bonds3

About 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide

2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide (PubChem CID 5150826) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
PubChem CID5150826
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
SMILESCc1ccc(CN(C(=O)C(C)(C)C)C2CCCCNC2=O)cc1
InChIInChI=1S/C19H28N2O2/c1-14-8-10-15(11-9-14)13-21(18(23)19(2,3)4)16-7-5-6-12-20-17(16)22/h8-11,16H,5-7,12-13H2,1-4H3,(H,20,22)
InChIKeyAHJGTLXVODONFL-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
CID 42700000
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 42699394
5-methyl-N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]thiophene-2-carboxamide
CID 42440843
2-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)benzamide
CID 42699399
N-[(3,4-dimethoxyphenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide
CID 42699373
N-[(4-ethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)dodecanamide
CID 42699388
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl]-2-methoxy-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 25325962
3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42707007
N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 42699992
3-(3-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 26402336
N-[(2-chlorophenyl)methyl]-3,5,5-trimethyl-N-(2-oxoazepan-3-yl)hexanamide
CID 42700013

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide (CID 5150826) is 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide is Cc1ccc(CN(C(=O)C(C)(C)C)C2CCCCNC2=O)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide?
The InChIKey is AHJGTLXVODONFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-8-10-15(11-9-14)13-21(18(23)19(2,3)4)16-7-5-6-12-20-17(16)22/h8-11,16H,5-7,12-13H2,1-4H3,(H,20,22).
What are the key properties of 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide?
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide has a molecular weight of 316.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide is sourced from PubChem (CID 5150826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).