(2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C16H22N2O3 — CID 30991388

IUPAC(2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCCCCCNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1
InChIInChI=1S/C16H22N2O3/c1-3-4-7-10-17-16(20)15-11-18(12(2)19)13-8-5-6-9-14(13)21-15/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyQLSBXDXOKVCBSC-OAHLLOKOSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds5

About (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 30991388) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID30991388
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCCCCCNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1
InChIInChI=1S/C16H22N2O3/c1-3-4-7-10-17-16(20)15-11-18(12(2)19)13-8-5-6-9-14(13)21-15/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyQLSBXDXOKVCBSC-OAHLLOKOSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-(4-phenoxybutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 24552394
4-acetyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18114768
(2R)-4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9109044
(2S)-4-(5-acetylthiophene-2-carbonyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9088789
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18104204
N-[(4-acetamidophenyl)methyl]-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18154126
(2S)-4-acetyl-N-(4-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51640478
(2S)-4-(2-phenylsulfanylacetyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9101031
(2R)-4-(4-fluorobenzoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9101326
4-acetyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18120788
4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 22107866
4-acetyl-N-[4-(diethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 42896036

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 30991388) is (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CCCCCNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1.
What is the InChIKey of (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is QLSBXDXOKVCBSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-7-10-17-16(20)15-11-18(12(2)19)13-8-5-6-9-14(13)21-15/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,17,20)/t15-/m1/s1.
What are the key properties of (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 30991388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).