benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate

C22H28N2O3 — CID 60596157

IUPACbenzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
SMILESCCc1ccc(C(NC(=O)CNC(=O)OCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-4-17-10-12-19(13-11-17)21(16(2)3)24-20(25)14-23-22(26)27-15-18-8-6-5-7-9-18/h5-13,16,21H,4,14-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBBYKJJKSHXEEQR-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.99
Rot. Bonds8

About benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate

benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate (PubChem CID 60596157) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
PubChem CID60596157
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namebenzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate
SMILESCCc1ccc(C(NC(=O)CNC(=O)OCc2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-4-17-10-12-19(13-11-17)21(16(2)3)24-20(25)14-23-22(26)27-15-18-8-6-5-7-9-18/h5-13,16,21H,4,14-15H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBBYKJJKSHXEEQR-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 55437912
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
benzyl N-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]carbamate
CID 60618425
(2S)-3,3-dimethyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 70836748
benzyl N-[2-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamate
CID 5479014
[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018343
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
tert-butyl (2R)-3-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
CID 66843039
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
benzyl N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamate
CID 14404662
benzyl N-[2-[[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]amino]-2-oxoethyl]carbamate
CID 167053629

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate (CID 60596157) is benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate is CCc1ccc(C(NC(=O)CNC(=O)OCc2ccccc2)C(C)C)cc1.
What is the InChIKey of benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate?
The InChIKey is BBYKJJKSHXEEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-17-10-12-19(13-11-17)21(16(2)3)24-20(25)14-23-22(26)27-15-18-8-6-5-7-9-18/h5-13,16,21H,4,14-15H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate?
benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate has a molecular weight of 368.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 60596157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).