2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide

C30H33N3O4 — CID 135262930

IUPAC2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc3c(c2)OC(C)(C)C(=O)N3)c2ccccc2)c(N2CCOCC2)c1
InChIInChI=1S/C30H33N3O4/c1-20-9-11-23(25(17-20)33-13-15-36-16-14-33)28(22-7-5-4-6-8-22)32-27(34)19-21-10-12-24-26(18-21)37-30(2,3)29(35)31-24/h4-12,17-18,28H,13-16,19H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyHBEXITXPTWNWEK-UHFFFAOYSA-N
MW499.61 g/mol
LogP4.39
Rot. Bonds6

About 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide

2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide (PubChem CID 135262930) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide
PubChem CID135262930
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC Name2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc3c(c2)OC(C)(C)C(=O)N3)c2ccccc2)c(N2CCOCC2)c1
InChIInChI=1S/C30H33N3O4/c1-20-9-11-23(25(17-20)33-13-15-36-16-14-33)28(22-7-5-4-6-8-22)32-27(34)19-21-10-12-24-26(18-21)37-30(2,3)29(35)31-24/h4-12,17-18,28H,13-16,19H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyHBEXITXPTWNWEK-UHFFFAOYSA-N
XLogP4.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide 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

3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117116014
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
CID 117108710
2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetic acid
CID 117341832
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]-2,3-dihydrobenzimidazol-1-yl]acetic acid
CID 71247709
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanol
CID 117115348
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1-phenylethyl)acetamide
CID 110770933
2-[3-ethoxy-4-(hydroxymethyl)phenyl]-N-[phenyl-(2-piperidin-1-ylphenyl)methyl]acetamide
CID 54477020
N-benzhydryl-2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39067096
4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117108460
2-(4-hydroxyphenyl)-N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]acetamide
CID 97225853

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide (CID 135262930) is 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc3c(c2)OC(C)(C)C(=O)N3)c2ccccc2)c(N2CCOCC2)c1.
What is the InChIKey of 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide?
The InChIKey is HBEXITXPTWNWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-20-9-11-23(25(17-20)33-13-15-36-16-14-33)28(22-7-5-4-6-8-22)32-27(34)19-21-10-12-24-26(18-21)37-30(2,3)29(35)31-24/h4-12,17-18,28H,13-16,19H2,1-3H3,(H,31,35)(H,32,34).
What are the key properties of 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide?
2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide has a molecular weight of 499.61 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 135262930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).