benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate

C24H20N2O4 — CID 100978788

IUPACbenzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate
SMILESO=C(NC(Cc1ccccc1)c1nc2ccccc2c(=O)o1)OCc1ccccc1
InChIInChI=1S/C24H20N2O4/c27-23-19-13-7-8-14-20(19)25-22(30-23)21(15-17-9-3-1-4-10-17)26-24(28)29-16-18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,26,28)
InChIKeyAWJQPEQWTKTXFB-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.40
Rot. Bonds6

About benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate

benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate (PubChem CID 100978788) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate
PubChem CID100978788
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Namebenzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate
SMILESO=C(NC(Cc1ccccc1)c1nc2ccccc2c(=O)o1)OCc1ccccc1
InChIInChI=1S/C24H20N2O4/c27-23-19-13-7-8-14-20(19)25-22(30-23)21(15-17-9-3-1-4-10-17)26-24(28)29-16-18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,26,28)
InChIKeyAWJQPEQWTKTXFB-UHFFFAOYSA-N
XLogP4.40
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(1R)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 58601580
benzyl N-[amino-[4-oxo-7-[2-(phenylmethoxycarbonylamino)propanoylamino]-3,1-benzoxazin-2-yl]methyl]carbamate
CID 142977418
benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
CID 175293947
benzyl N-[(2R)-1-oxo-1-[[4-oxo-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3,1-benzoxazin-7-yl]amino]propan-2-yl]carbamate
CID 71121029
methyl 5-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-2-[(1S)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]-1,3-oxazole-4-carboxylate
CID 10767974
benzyl N-[(1S)-2-methyl-1-(4-oxothieno[3,2-d][1,3]oxazin-2-yl)propyl]carbamate
CID 504615
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
CID 11346335
benzyl N-[(1S)-1-(5,6-dimethyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
CID 139788293
benzyl N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-(4-isocyanophenyl)propan-2-yl]carbamate
CID 59013250
benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate
CID 54377108
benzyl N-[(1S)-1-(3-methyl-1,2-dihydrotriazol-5-yl)-2-phenylethyl]carbamate
CID 144870794

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate?
The IUPAC name of benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate (CID 100978788) is benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate is O=C(NC(Cc1ccccc1)c1nc2ccccc2c(=O)o1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate?
The InChIKey is AWJQPEQWTKTXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-23-19-13-7-8-14-20(19)25-22(30-23)21(15-17-9-3-1-4-10-17)26-24(28)29-16-18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,26,28).
What are the key properties of benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate?
benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate has a molecular weight of 400.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate is sourced from PubChem (CID 100978788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).