(4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate

C16H24N2O3 — CID 178047319

IUPAC(4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate
SMILESCC(=O)N(C)CCNC(=O)OCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)15-7-5-14(6-8-15)11-21-16(20)17-9-10-18(4)13(3)19/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyLVILCOWWXBANPZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.51
Rot. Bonds6

About (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate

(4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate (PubChem CID 178047319) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate
PubChem CID178047319
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate
SMILESCC(=O)N(C)CCNC(=O)OCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)15-7-5-14(6-8-15)11-21-16(20)17-9-10-18(4)13(3)19/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyLVILCOWWXBANPZ-UHFFFAOYSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
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(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 170086914
(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 127523781
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
(4-aminophenyl)methyl N-propylcarbamate
CID 142910481
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
(4-methylphenyl)methyl N-(2-acetamidoethyl)-N-methylcarbamate
CID 167648938
[4-[2-(methylamino)propanoylamino]phenyl]methyl N-[2-[methyl-(3-methyl-4-oxobutanoyl)amino]ethyl]carbamate
CID 172576676
[4-[2-(dimethylamino)ethylcarbamoyloxymethyl]phenyl] sulfite
CID 137403485
benzyl N-[(2R)-1-oxo-3-(4-propan-2-ylphenyl)propan-2-yl]carbamate
CID 89155610
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate?
The IUPAC name of (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate (CID 178047319) is (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate?
The canonical SMILES for (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate is CC(=O)N(C)CCNC(=O)OCc1ccc(C(C)C)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate?
The InChIKey is LVILCOWWXBANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)15-7-5-14(6-8-15)11-21-16(20)17-9-10-18(4)13(3)19/h5-8,12H,9-11H2,1-4H3,(H,17,20).
What are the key properties of (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate?
(4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl N-[2-[acetyl(methyl)amino]ethyl]carbamate is sourced from PubChem (CID 178047319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).