benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate

C21H24N2O4 — CID 67901820

IUPACbenzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)C(=O)NC(=O)Cc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-21(2,3)19(25)23-18(24)13-15-9-11-17(12-10-15)22-20(26)27-14-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDZWQIDVLXOMOJL-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.67
Rot. Bonds5

About benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate

benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate (PubChem CID 67901820) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate
PubChem CID67901820
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namebenzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)C(=O)NC(=O)Cc1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-21(2,3)19(25)23-18(24)13-15-9-11-17(12-10-15)22-20(26)27-14-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyDZWQIDVLXOMOJL-UHFFFAOYSA-N
XLogP3.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
[4-[2-[4-[(2-phenylacetyl)amino]phenyl]ethoxycarbonylamino]phenyl]methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 71085684
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844
(2,5-dihydroxypyrrol-1-yl) 2-[4-(phenylmethoxycarbonylamino)phenyl]acetate
CID 90878567
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate?
The IUPAC name of benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate (CID 67901820) is benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate is CC(C)(C)C(=O)NC(=O)Cc1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate?
The InChIKey is DZWQIDVLXOMOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(2,3)19(25)23-18(24)13-15-9-11-17(12-10-15)22-20(26)27-14-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate?
benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate has a molecular weight of 368.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 67901820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).