2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide

C19H28N2O — CID 46526961

IUPAC2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)CN2CCCCCC2)C2CC2)cc1
InChIInChI=1S/C19H28N2O/c1-15-6-8-16(9-7-15)19(17-10-11-17)20-18(22)14-21-12-4-2-3-5-13-21/h6-9,17,19H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyNSDVMTZDVROZQE-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.44
Rot. Bonds5

About 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide

2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (PubChem CID 46526961) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
PubChem CID46526961
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)CN2CCCCCC2)C2CC2)cc1
InChIInChI=1S/C19H28N2O/c1-15-6-8-16(9-7-15)19(17-10-11-17)20-18(22)14-21-12-4-2-3-5-13-21/h6-9,17,19H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyNSDVMTZDVROZQE-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclohexyloxypiperidin-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 86873908
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46558763
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 55524481
ethyl (2R)-1-[2-[[(S)-cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-2-carboxylate
CID 100899663
ethyl (2S)-1-[2-[[(S)-cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-2-carboxylate
CID 100899662
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 95289306
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906984
N-[cyclopropyl-(4-methylphenyl)methyl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 55830599
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone
CID 115576039
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95348606
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113849

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (CID 46526961) is 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide is Cc1ccc(C(NC(=O)CN2CCCCCC2)C2CC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The InChIKey is NSDVMTZDVROZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-6-8-16(9-7-15)19(17-10-11-17)20-18(22)14-21-12-4-2-3-5-13-21/h6-9,17,19H,2-5,10-14H2,1H3,(H,20,22).
What are the key properties of 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide has a molecular weight of 300.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46526961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).