N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide

C17H23N3O3 — CID 134938916

IUPACN-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide
SMILESO=C(CCCNC(=O)N1CCCCCC1=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O3/c21-15(19-14-8-3-1-4-9-14)10-7-12-18-17(23)20-13-6-2-5-11-16(20)22/h1,3-4,8-9H,2,5-7,10-13H2,(H,18,23)(H,19,21)
InChIKeyGPTYEAXUVZWHHI-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.52
Rot. Bonds5

About N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide

N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide (PubChem CID 134938916) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide
PubChem CID134938916
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide
SMILESO=C(CCCNC(=O)N1CCCCCC1=O)Nc1ccccc1
InChIInChI=1S/C17H23N3O3/c21-15(19-14-8-3-1-4-9-14)10-7-12-18-17(23)20-13-6-2-5-11-16(20)22/h1,3-4,8-9H,2,5-7,10-13H2,(H,18,23)(H,19,21)
InChIKeyGPTYEAXUVZWHHI-UHFFFAOYSA-N
XLogP2.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide
CID 159625600
6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10850910
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
3-[[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 119222971
N-phenyl-2-(piperidin-1-ylamino)acetamide
CID 83014503
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxopyrrolidin-1-yl)anilino]butyl]propanamide
CID 32756509
N-[4-(4-chloroanilino)-4-oxobutyl]-2-methylpiperidine-1-carboxamide
CID 60544613
(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate
CID 129168004
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 31009310
N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
CID 11623126

Frequently Asked Questions

What is the IUPAC name of N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide?
The IUPAC name of N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide (CID 134938916) is N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide.
What is the SMILES notation for N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide?
The canonical SMILES for N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide is O=C(CCCNC(=O)N1CCCCCC1=O)Nc1ccccc1.
What is the InChIKey of N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide?
The InChIKey is GPTYEAXUVZWHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15(19-14-8-3-1-4-9-14)10-7-12-18-17(23)20-13-6-2-5-11-16(20)22/h1,3-4,8-9H,2,5-7,10-13H2,(H,18,23)(H,19,21).
What are the key properties of N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide?
N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide is sourced from PubChem (CID 134938916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).