(4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate

C24H28N2O2 — CID 142044070

IUPAC(4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate
SMILESN#Cc1ccc(CCNC(=O)OCc2ccc(C3CCCCCC3)cc2)cc1
InChIInChI=1S/C24H28N2O2/c25-17-20-9-7-19(8-10-20)15-16-26-24(27)28-18-21-11-13-23(14-12-21)22-5-3-1-2-4-6-22/h7-14,22H,1-6,15-16,18H2,(H,26,27)
InChIKeyXACDXYGZRNNXAR-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.46
Rot. Bonds6

About (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate

(4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate (PubChem CID 142044070) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate.

Molecular Properties

Compound Name(4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate
PubChem CID142044070
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate
SMILESN#Cc1ccc(CCNC(=O)OCc2ccc(C3CCCCCC3)cc2)cc1
InChIInChI=1S/C24H28N2O2/c25-17-20-9-7-19(8-10-20)15-16-26-24(27)28-18-21-11-13-23(14-12-21)22-5-3-1-2-4-6-22/h7-14,22H,1-6,15-16,18H2,(H,26,27)
InChIKeyXACDXYGZRNNXAR-UHFFFAOYSA-N
XLogP5.46
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-(4-piperidin-4-ylphenyl)ethyl]carbamate
CID 165413642
3-cyano-N-[2-(4-cyclohexylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 136552584
benzyl N-[2-(4-ethynylphenyl)ethyl]carbamate
CID 138986465
N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
CID 145433441
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
(4-cyanophenyl)methyl 2-cyclopentylacetate
CID 2405362
(4-cyanophenyl) 4-cyclohexylbenzoate
CID 139383045
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
2-(4-cyclohexylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261089
(3R,4R)-3-N,4-N-bis[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961395
trans-(1S,3S)-N-[2-(4-cyanophenyl)ethyl]-3-hydroxycyclopentane-1-carboxamide
CID 158144614
3-N-[2-(4-cyanophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 175163144

Frequently Asked Questions

What is the IUPAC name of (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate?
The IUPAC name of (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate (CID 142044070) is (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate.
What is the SMILES notation for (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate?
The canonical SMILES for (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate is N#Cc1ccc(CCNC(=O)OCc2ccc(C3CCCCCC3)cc2)cc1.
What is the InChIKey of (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate?
The InChIKey is XACDXYGZRNNXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c25-17-20-9-7-19(8-10-20)15-16-26-24(27)28-18-21-11-13-23(14-12-21)22-5-3-1-2-4-6-22/h7-14,22H,1-6,15-16,18H2,(H,26,27).
What are the key properties of (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate?
(4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate has a molecular weight of 376.50 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cycloheptylphenyl)methyl N-[2-(4-cyanophenyl)ethyl]carbamate is sourced from PubChem (CID 142044070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).