benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate

C17H18N2O4 — CID 60596184

IUPACbenzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O4/c1-22-15-9-7-14(8-10-15)19-16(20)11-18-17(21)23-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyQKZIZZHGDWJNMT-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.56
Rot. Bonds6

About benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate

benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate (PubChem CID 60596184) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
PubChem CID60596184
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namebenzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
SMILESCOc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O4/c1-22-15-9-7-14(8-10-15)19-16(20)11-18-17(21)23-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyQKZIZZHGDWJNMT-UHFFFAOYSA-N
XLogP2.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
chloromethyl 4-[[2-(phenylmethoxycarbonylamino)acetyl]amino]benzoate
CID 70183843
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[2-oxo-2-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]ethyl]carbamate
CID 58874869
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
benzyl N-[2-[(2,2-dimethyl-1,3-dihydroinden-5-yl)amino]-2-oxoethyl]carbamate
CID 166326265
benzyl N-[2-[[(2R)-1-[(4-methoxyphenyl)methylamino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamate
CID 102323425
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate (CID 60596184) is benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate is COc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate?
The InChIKey is QKZIZZHGDWJNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-15-9-7-14(8-10-15)19-16(20)11-18-17(21)23-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate?
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate has a molecular weight of 314.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 60596184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).