2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

C25H32N2O3 — CID 6733512

IUPAC2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCc1ccc(CCOC(=O)NC(Cc2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-19-12-14-20(15-13-19)16-17-30-25(29)27-23(18-21-8-4-2-5-9-21)24(28)26-22-10-6-3-7-11-22/h2,4-5,8-9,12-15,22-23H,3,6-7,10-11,16-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyDHAKJHMGESRMFT-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.32
Rot. Bonds8

About 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate

2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 6733512) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Name2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID6733512
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCc1ccc(CCOC(=O)NC(Cc2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-19-12-14-20(15-13-19)16-17-30-25(29)27-23(18-21-8-4-2-5-9-21)24(28)26-22-10-6-3-7-11-22/h2,4-5,8-9,12-15,22-23H,3,6-7,10-11,16-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyDHAKJHMGESRMFT-UHFFFAOYSA-N
XLogP4.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 6733512) is 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate is Cc1ccc(CCOC(=O)NC(Cc2ccccc2)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is DHAKJHMGESRMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19-12-14-20(15-13-19)16-17-30-25(29)27-23(18-21-8-4-2-5-9-21)24(28)26-22-10-6-3-7-11-22/h2,4-5,8-9,12-15,22-23H,3,6-7,10-11,16-18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate?
2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 408.54 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethyl N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 6733512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).