N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C19H26N2O3 — CID 38857092

IUPACN-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)NCCCC1CCCC1
InChIInChI=1S/C19H26N2O3/c22-18(20-12-5-8-15-6-1-2-7-15)11-13-21-16-9-3-4-10-17(16)24-14-19(21)23/h3-4,9-10,15H,1-2,5-8,11-14H2,(H,20,22)
InChIKeyPCZASSQAOJFGSJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.89
Rot. Bonds7

About N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 38857092) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID38857092
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)NCCCC1CCCC1
InChIInChI=1S/C19H26N2O3/c22-18(20-12-5-8-15-6-1-2-7-15)11-13-21-16-9-3-4-10-17(16)24-14-19(21)23/h3-4,9-10,15H,1-2,5-8,11-14H2,(H,20,22)
InChIKeyPCZASSQAOJFGSJ-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-ium-1-yl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3551660
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3240979
2,2-dimethyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoic acid
CID 119249168
N-[(1S,2R)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 6938468
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 17403868
4-[3-oxo-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propylamino]propyl]benzoic acid
CID 119186371
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide
CID 119333214
N-(3-methylbutyl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42787992
2-(methylamino)-N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]acetamide;hydrochloride
CID 119800548
N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]cyclobutanecarboxamide
CID 110729830
N-[3-[[(2R,3R,4S,6R)-2,3-dihydroxy-6-methyloxan-4-yl]-methylamino]propyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 145467113

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 38857092) is N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is O=C(CCN1C(=O)COc2ccccc21)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is PCZASSQAOJFGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-18(20-12-5-8-15-6-1-2-7-15)11-13-21-16-9-3-4-10-17(16)24-14-19(21)23/h3-4,9-10,15H,1-2,5-8,11-14H2,(H,20,22).
What are the key properties of N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 38857092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).