1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide

C19H28N2O — CID 72857651

IUPAC1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide
SMILESCc1cccc(CC2(NC(=O)C3CCCCCN3C)CC2)c1
InChIInChI=1S/C19H28N2O/c1-15-7-6-8-16(13-15)14-19(10-11-19)20-18(22)17-9-4-3-5-12-21(17)2/h6-8,13,17H,3-5,9-12,14H2,1-2H3,(H,20,22)
InChIKeyQFAHAIYIRSZLBJ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.06
Rot. Bonds4

About 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide

1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide (PubChem CID 72857651) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide
PubChem CID72857651
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide
SMILESCc1cccc(CC2(NC(=O)C3CCCCCN3C)CC2)c1
InChIInChI=1S/C19H28N2O/c1-15-7-6-8-16(13-15)14-19(10-11-19)20-18(22)17-9-4-3-5-12-21(17)2/h6-8,13,17H,3-5,9-12,14H2,1-2H3,(H,20,22)
InChIKeyQFAHAIYIRSZLBJ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72877829
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 131942484
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74237766
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396
(2S)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308397
N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
CID 110865260
N-methyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 82127246
2-(dimethylcarbamoylamino)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]acetamide
CID 122567958
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide?
The IUPAC name of 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide (CID 72857651) is 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide is Cc1cccc(CC2(NC(=O)C3CCCCCN3C)CC2)c1.
What is the InChIKey of 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide?
The InChIKey is QFAHAIYIRSZLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-7-6-8-16(13-15)14-19(10-11-19)20-18(22)17-9-4-3-5-12-21(17)2/h6-8,13,17H,3-5,9-12,14H2,1-2H3,(H,20,22).
What are the key properties of 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide?
1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide is sourced from PubChem (CID 72857651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).