N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide

C16H23N3O2 — CID 64563985

IUPACN-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C16H23N3O2/c1-19(2)16(21)12-8-5-6-9-13(12)18-15(20)14-10-4-3-7-11-17-14/h5-6,8-9,14,17H,3-4,7,10-11H2,1-2H3,(H,18,20)
InChIKeyKOOLWHCUDAKVML-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.86
Rot. Bonds3

About N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide

N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide (PubChem CID 64563985) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
PubChem CID64563985
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C16H23N3O2/c1-19(2)16(21)12-8-5-6-9-13(12)18-15(20)14-10-4-3-7-11-17-14/h5-6,8-9,14,17H,3-4,7,10-11H2,1-2H3,(H,18,20)
InChIKeyKOOLWHCUDAKVML-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)piperidine-2-carboxamide
CID 110462300
2-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 39233266
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide
CID 64563799
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119399894
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
N-[2-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18073010
N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 43702382

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide (CID 64563985) is N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide is CN(C)C(=O)c1ccccc1NC(=O)C1CCCCCN1.
What is the InChIKey of N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide?
The InChIKey is KOOLWHCUDAKVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19(2)16(21)12-8-5-6-9-13(12)18-15(20)14-10-4-3-7-11-17-14/h5-6,8-9,14,17H,3-4,7,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide?
N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoyl)phenyl]azepane-2-carboxamide is sourced from PubChem (CID 64563985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).