N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide

C15H21N3O2 — CID 64563986

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C15H21N3O2/c16-14(19)10-11-6-3-4-7-12(11)18-15(20)13-8-2-1-5-9-17-13/h3-4,6-7,13,17H,1-2,5,8-10H2,(H2,16,19)(H,18,20)
InChIKeyUBWYZPWNAUDXCB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.19
Rot. Bonds4

About N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide

N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide (PubChem CID 64563986) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
PubChem CID64563986
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide
SMILESNC(=O)Cc1ccccc1NC(=O)C1CCCCCN1
InChIInChI=1S/C15H21N3O2/c16-14(19)10-11-6-3-4-7-12(11)18-15(20)13-8-2-1-5-9-17-13/h3-4,6-7,13,17H,1-2,5,8-10H2,(H2,16,19)(H,18,20)
InChIKeyUBWYZPWNAUDXCB-UHFFFAOYSA-N
XLogP1.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
N-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43710720
N-[2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64563598
(2R)-N-[2-[(dimethylamino)methyl]phenyl]piperidine-2-carboxamide
CID 104912781
(2S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 61179637
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
N-(2-fluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119262310
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119305342
N-(2-sulfamoylphenyl)piperidine-2-carboxamide
CID 61130085

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide (CID 64563986) is N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide is NC(=O)Cc1ccccc1NC(=O)C1CCCCCN1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide?
The InChIKey is UBWYZPWNAUDXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-14(19)10-11-6-3-4-7-12(11)18-15(20)13-8-2-1-5-9-17-13/h3-4,6-7,13,17H,1-2,5,8-10H2,(H2,16,19)(H,18,20).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide?
N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]azepane-2-carboxamide is sourced from PubChem (CID 64563986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).