benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate

C24H24N2O4 — CID 60618425

IUPACbenzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate
SMILESCC(NC(=O)CNC(=O)OCc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4/c1-18(20-12-14-22(15-13-20)30-21-10-6-3-7-11-21)26-23(27)16-25-24(28)29-17-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H,25,28)(H,26,27)
InChIKeyJDXMBDBFCOACSW-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.58
Rot. Bonds8

About benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate

benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate (PubChem CID 60618425) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate
PubChem CID60618425
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namebenzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate
SMILESCC(NC(=O)CNC(=O)OCc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4/c1-18(20-12-14-22(15-13-20)30-21-10-6-3-7-11-21)26-23(27)16-25-24(28)29-17-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H,25,28)(H,26,27)
InChIKeyJDXMBDBFCOACSW-UHFFFAOYSA-N
XLogP4.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
methyl 4-[1-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 139526355
benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
CID 60596157
N-[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9115772
benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 5479014
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
CID 56822670
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-[2-[[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-2-oxoethyl]carbamate
CID 167053629
benzyl N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamate
CID 14404662
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
benzyl N-[(4R)-4-amino-5-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722023

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate (CID 60618425) is benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate is CC(NC(=O)CNC(=O)OCc1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate?
The InChIKey is JDXMBDBFCOACSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-18(20-12-14-22(15-13-20)30-21-10-6-3-7-11-21)26-23(27)16-25-24(28)29-17-19-8-4-2-5-9-19/h2-15,18H,16-17H2,1H3,(H,25,28)(H,26,27).
What are the key properties of benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate?
benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate has a molecular weight of 404.47 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 60618425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).