methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate

C16H24N2O2 — CID 43730246

IUPACmethyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
SMILESCCC1CCC(Nc2ccc(NC(=O)OC)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-12-4-6-13(7-5-12)17-14-8-10-15(11-9-14)18-16(19)20-2/h8-13,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyCCAQFJPXVRUSLE-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.25
Rot. Bonds4

About methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate

methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate (PubChem CID 43730246) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
PubChem CID43730246
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
SMILESCCC1CCC(Nc2ccc(NC(=O)OC)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-12-4-6-13(7-5-12)17-14-8-10-15(11-9-14)18-16(19)20-2/h8-13,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyCCAQFJPXVRUSLE-UHFFFAOYSA-N
XLogP4.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[4-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
CID 106594042
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
N-(4-ethylcyclohexyl)-N'-(4-methoxyphenyl)oxamide
CID 124505093
N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline
CID 43689650
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
N'-(4-bromophenyl)-N-(4-ethylcyclohexyl)oxamide
CID 124505043
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate
CID 62980774
2-methoxy-N-[4-[(4-methylcyclohexyl)amino]phenyl]acetamide
CID 43717399
4-[(4-ethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 113319767
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate (CID 43730246) is methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate is CCC1CCC(Nc2ccc(NC(=O)OC)cc2)CC1.
What is the InChIKey of methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate?
The InChIKey is CCAQFJPXVRUSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-12-4-6-13(7-5-12)17-14-8-10-15(11-9-14)18-16(19)20-2/h8-13,17H,3-7H2,1-2H3,(H,18,19).
What are the key properties of methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate?
methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate has a molecular weight of 276.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate is sourced from PubChem (CID 43730246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).