[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate

C23H29NO2 — CID 174786679

IUPAC[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate
SMILESCC(C)c1cccc(C(C)C2CC2)c1OC(=O)NCCc1ccccc1
InChIInChI=1S/C23H29NO2/c1-16(2)20-10-7-11-21(17(3)19-12-13-19)22(20)26-23(25)24-15-14-18-8-5-4-6-9-18/h4-11,16-17,19H,12-15H2,1-3H3,(H,24,25)
InChIKeyXKGYLYUQOYPWBK-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.65
Rot. Bonds7

About [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate

[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate (PubChem CID 174786679) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate
PubChem CID174786679
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate
SMILESCC(C)c1cccc(C(C)C2CC2)c1OC(=O)NCCc1ccccc1
InChIInChI=1S/C23H29NO2/c1-16(2)20-10-7-11-21(17(3)19-12-13-19)22(20)26-23(25)24-15-14-18-8-5-4-6-9-18/h4-11,16-17,19H,12-15H2,1-3H3,(H,24,25)
InChIKeyXKGYLYUQOYPWBK-UHFFFAOYSA-N
XLogP5.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenyl] N-propan-2-ylcarbamate
CID 118909693
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] hydrogen carbonate
CID 118899055
2-[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 172758080
(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
CID 57330094
[2,6-di(propan-2-yl)phenyl] N-(2-amino-2-phenylethyl)carbamate
CID 15675184
phenyl N-(2-phenylethyl)carbamate
CID 12632743
(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 127551051
[2-(1-cyclopropylethyl)-6-propan-2-ylphenoxy]methyl 3-aminopropanoate
CID 174823269
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
methyl 2-(1-cyclopropylethyl)-6-propan-2-ylbenzoate
CID 175048002
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]methyl 2-acetyloxybenzoate
CID 118899037

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate?
The IUPAC name of [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate (CID 174786679) is [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate.
What is the SMILES notation for [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate?
The canonical SMILES for [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate is CC(C)c1cccc(C(C)C2CC2)c1OC(=O)NCCc1ccccc1.
What is the InChIKey of [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate?
The InChIKey is XKGYLYUQOYPWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16(2)20-10-7-11-21(17(3)19-12-13-19)22(20)26-23(25)24-15-14-18-8-5-4-6-9-18/h4-11,16-17,19H,12-15H2,1-3H3,(H,24,25).
What are the key properties of [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate?
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate has a molecular weight of 351.49 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] N-(2-phenylethyl)carbamate is sourced from PubChem (CID 174786679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).