1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea

C19H20N4O5 — CID 24792684

IUPAC1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NNC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2
InChIInChI=1S/C19H20N4O5/c1-19(2)17(25)20-13-10-11(8-9-15(13)28-19)16(24)22-23-18(26)21-12-6-4-5-7-14(12)27-3/h4-10H,1-3H3,(H,20,25)(H,22,24)(H2,21,23,26)
InChIKeyGBUFHHMGEKMSJW-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.27
Rot. Bonds3

About 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea

1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea (PubChem CID 24792684) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea
PubChem CID24792684
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NNC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2
InChIInChI=1S/C19H20N4O5/c1-19(2)17(25)20-13-10-11(8-9-15(13)28-19)16(24)22-23-18(26)21-12-6-4-5-7-14(12)27-3/h4-10H,1-3H3,(H,20,25)(H,22,24)(H2,21,23,26)
InChIKeyGBUFHHMGEKMSJW-UHFFFAOYSA-N
XLogP2.27
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea (CID 24792684) is 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NNC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2.
What is the InChIKey of 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea?
The InChIKey is GBUFHHMGEKMSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-19(2)17(25)20-13-10-11(8-9-15(13)28-19)16(24)22-23-18(26)21-12-6-4-5-7-14(12)27-3/h4-10H,1-3H3,(H,20,25)(H,22,24)(H2,21,23,26).
What are the key properties of 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea?
1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea has a molecular weight of 384.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 24792684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).