4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide

C20H29N3O4 — CID 3252883

IUPAC4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)NCCCN1CCOCC1)C(=O)CO2
InChIInChI=1S/C20H29N3O4/c1-16-5-6-18-17(14-16)23(20(25)15-27-18)9-2-4-19(24)21-7-3-8-22-10-12-26-13-11-22/h5-6,14H,2-4,7-13,15H2,1H3,(H,21,24)
InChIKeyOUOLEQDOCPOHNJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.34
Rot. Bonds8

About 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide

4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 3252883) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID3252883
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)NCCCN1CCOCC1)C(=O)CO2
InChIInChI=1S/C20H29N3O4/c1-16-5-6-18-17(14-16)23(20(25)15-27-18)9-2-4-19(24)21-7-3-8-22-10-12-26-13-11-22/h5-6,14H,2-4,7-13,15H2,1H3,(H,21,24)
InChIKeyOUOLEQDOCPOHNJ-UHFFFAOYSA-N
XLogP1.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 4104320
2-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 42788139
N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 39163215
N-[2-(dimethylamino)ethyl]-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46246200
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3240979
N-(2-bromo-4,6-difluorophenyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 20887617
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 20887616
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20861542
N-butyl-4-[6-[2-(4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide
CID 42846860
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 26368507
4-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)butanamide
CID 42786144
6-hydroxy-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 82063421

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide (CID 3252883) is 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide is Cc1ccc2c(c1)N(CCCC(=O)NCCCN1CCOCC1)C(=O)CO2.
What is the InChIKey of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is OUOLEQDOCPOHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-16-5-6-18-17(14-16)23(20(25)15-27-18)9-2-4-19(24)21-7-3-8-22-10-12-26-13-11-22/h5-6,14H,2-4,7-13,15H2,1H3,(H,21,24).
What are the key properties of 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 375.47 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 3252883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).