N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide

C15H21N3O3 — CID 64564189

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)C2CCCCCN2)cc1
InChIInChI=1S/C15H21N3O3/c16-14(19)10-21-12-7-5-11(6-8-12)18-15(20)13-4-2-1-3-9-17-13/h5-8,13,17H,1-4,9-10H2,(H2,16,19)(H,18,20)
InChIKeyICSNXDVRKARKMX-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.02
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide (PubChem CID 64564189) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
PubChem CID64564189
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
SMILESNC(=O)COc1ccc(NC(=O)C2CCCCCN2)cc1
InChIInChI=1S/C15H21N3O3/c16-14(19)10-21-12-7-5-11(6-8-12)18-15(20)13-4-2-1-3-9-17-13/h5-8,13,17H,1-4,9-10H2,(H2,16,19)(H,18,20)
InChIKeyICSNXDVRKARKMX-UHFFFAOYSA-N
XLogP1.02
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104913965
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
N-[4-(cyanomethoxy)phenyl]azepane-2-carboxamide
CID 64564416
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423054
(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119698605
(2R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-2-carboxamide
CID 103813549
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
(2R)-N-(4-phenoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119671696
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-2-carboxamide
CID 110462338
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide (CID 64564189) is N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide is NC(=O)COc1ccc(NC(=O)C2CCCCCN2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide?
The InChIKey is ICSNXDVRKARKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-14(19)10-21-12-7-5-11(6-8-12)18-15(20)13-4-2-1-3-9-17-13/h5-8,13,17H,1-4,9-10H2,(H2,16,19)(H,18,20).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide is sourced from PubChem (CID 64564189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).