N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide

C17H24N2O — CID 107176074

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H24N2O/c1-12-3-2-4-16(12)17(20)19-15-7-5-13(6-8-15)11-18-14-9-10-14/h5-8,12,14,16,18H,2-4,9-11H2,1H3,(H,19,20)
InChIKeySZQGGUNIVGOBDN-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.31
Rot. Bonds5

About N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide

N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107176074) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107176074
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H24N2O/c1-12-3-2-4-16(12)17(20)19-15-7-5-13(6-8-15)11-18-14-9-10-14/h5-8,12,14,16,18H,2-4,9-11H2,1H3,(H,19,20)
InChIKeySZQGGUNIVGOBDN-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
2-[4-[(2-methylcyclopentanecarbonyl)amino]phenoxy]acetic acid
CID 107175510
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 113415137
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181295
N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
CID 106910518
tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
cis-(1R,2S)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484556

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide (CID 107176074) is N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)Nc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is SZQGGUNIVGOBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-3-2-4-16(12)17(20)19-15-7-5-13(6-8-15)11-18-14-9-10-14/h5-8,12,14,16,18H,2-4,9-11H2,1H3,(H,19,20).
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide?
N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107176074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).