1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide

C16H23N3O2 — CID 115443739

IUPAC1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2C(N)=O)CCCCCC1
InChIInChI=1S/C16H23N3O2/c17-11-16(9-5-1-2-6-10-16)15(21)19-13-8-4-3-7-12(13)14(18)20/h3-4,7-8H,1-2,5-6,9-11,17H2,(H2,18,20)(H,19,21)
InChIKeyVKVDHTZTIOZENA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.02
Rot. Bonds4

About 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide (PubChem CID 115443739) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
PubChem CID115443739
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2C(N)=O)CCCCCC1
InChIInChI=1S/C16H23N3O2/c17-11-16(9-5-1-2-6-10-16)15(21)19-13-8-4-3-7-12(13)14(18)20/h3-4,7-8H,1-2,5-6,9-11,17H2,(H2,18,20)(H,19,21)
InChIKeyVKVDHTZTIOZENA-UHFFFAOYSA-N
XLogP2.02
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]benzamide
CID 115434729
4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
CID 115438930
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]thiophene-3-carboxamide
CID 115437776
1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437472
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]thiophene-3-carboxamide
CID 115435197
2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 28624302
2-[[1-(aminomethyl)cyclopentyl]amino]benzamide
CID 63887827
N-(2-carbamothioylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827308
1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
CID 103479480
1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide (CID 115443739) is 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide is NCC1(C(=O)Nc2ccccc2C(N)=O)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide?
The InChIKey is VKVDHTZTIOZENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-11-16(9-5-1-2-6-10-16)15(21)19-13-8-4-3-7-12(13)14(18)20/h3-4,7-8H,1-2,5-6,9-11,17H2,(H2,18,20)(H,19,21).
What are the key properties of 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-carbamoylphenyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 115443739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).