N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide

C17H25N3O2 — CID 54843928

IUPACN-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-19(2)13-16(21)18-15-9-7-14(8-10-15)17(22)20-11-5-3-4-6-12-20/h7-10H,3-6,11-13H2,1-2H3,(H,18,21)
InChIKeyGYGCMABOUWLKNV-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.20
Rot. Bonds4

About N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide

N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide (PubChem CID 54843928) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
PubChem CID54843928
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-19(2)13-16(21)18-15-9-7-14(8-10-15)17(22)20-11-5-3-4-6-12-20/h7-10H,3-6,11-13H2,1-2H3,(H,18,21)
InChIKeyGYGCMABOUWLKNV-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
2-(dimethylamino)-N-[4-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]acetamide
CID 134707110
4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838199
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
CID 47063386
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618
2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 61259425

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide (CID 54843928) is N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide?
The InChIKey is GYGCMABOUWLKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(2)13-16(21)18-15-9-7-14(8-10-15)17(22)20-11-5-3-4-6-12-20/h7-10H,3-6,11-13H2,1-2H3,(H,18,21).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide?
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 54843928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).