N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C19H27N3O4 — CID 30751721

IUPACN-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(C)C[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCOCC1
InChIInChI=1S/C19H27N3O4/c1-13(2)9-15(22-5-7-25-8-6-22)11-20-19(24)14-3-4-16-17(10-14)26-12-18(23)21-16/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyDNNIDFAZYQBNSH-OAHLLOKOSA-N
MW361.44 g/mol
LogP1.49
Rot. Bonds6

About N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 30751721) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID30751721
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(C)C[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCOCC1
InChIInChI=1S/C19H27N3O4/c1-13(2)9-15(22-5-7-25-8-6-22)11-20-19(24)14-3-4-16-17(10-14)26-12-18(23)21-16/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyDNNIDFAZYQBNSH-OAHLLOKOSA-N
XLogP1.49
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-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

N-[(2S)-4-methyl-2-pyrrolidin-1-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 95155914
4-methyl-2-[[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]methyl]pentanoic acid
CID 119253573
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
(2S)-4-methyl-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pentanoic acid
CID 119361799
N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrazole-4-carboxamide
CID 60786494
2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide
CID 46540916
N-(4-methyl-2-morpholin-4-ylpentyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24633688
3-methyl-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-4-nitrobenzamide
CID 30470681
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39484487
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 30751721) is N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CC(C)C[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)N1CCOCC1.
What is the InChIKey of N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is DNNIDFAZYQBNSH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(2)9-15(22-5-7-25-8-6-22)11-20-19(24)14-3-4-16-17(10-14)26-12-18(23)21-16/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 30751721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).