(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate

C19H23NO3 — CID 127551051

IUPAC(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)17-6-4-5-7-18(17)23-19(21)20-13-12-15-8-10-16(22-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyRPULSEGYAZVXOW-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.15
Rot. Bonds6

About (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate

(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate (PubChem CID 127551051) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
PubChem CID127551051
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)17-6-4-5-7-18(17)23-19(21)20-13-12-15-8-10-16(22-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyRPULSEGYAZVXOW-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
CID 57330094
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977761
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 112977430
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977765
(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
CID 19220587
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138011
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92647143
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate (CID 127551051) is (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate is COc1ccc(CCNC(=O)Oc2ccccc2C(C)C)cc1.
What is the InChIKey of (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
The InChIKey is RPULSEGYAZVXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(2)17-6-4-5-7-18(17)23-19(21)20-13-12-15-8-10-16(22-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate?
(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 127551051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).