methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate

C16H22N2O3 — CID 108783643

IUPACmethyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)Nc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-21-15(19)14-10-6-5-7-12(14)11-17-16(20)18-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3,(H2,17,18,20)
InChIKeyBROKKHOWQWWYNP-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds4

About methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate

methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate (PubChem CID 108783643) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
PubChem CID108783643
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)Nc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-21-15(19)14-10-6-5-7-12(14)11-17-16(20)18-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3,(H2,17,18,20)
InChIKeyBROKKHOWQWWYNP-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate 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

trans-(1S,2R)-2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108781407
methyl 2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108745294
methyl 2-[[(5-oxo-5-phenylpentanoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745297
methyl 2-[[[4-(4-fluoroanilino)-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767543
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
CID 64928641
methyl 2-[[[(E)-3-(4-ethoxyphenyl)-2-phenylprop-2-enoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767571
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
methoxycyclopentane;1-(2-methylpropyl)-3-phenylurea
CID 153341809
methyl 2-[[(3,5-dimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108767495
methyl 2-[[(2-chloro-6-fluorobenzoyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745251
methyl 2-[[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]methyl]cyclohexane-1-carboxylate
CID 108745293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate (CID 108783643) is methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)Nc1ccccc1.
What is the InChIKey of methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate?
The InChIKey is BROKKHOWQWWYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-15(19)14-10-6-5-7-12(14)11-17-16(20)18-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3,(H2,17,18,20).
What are the key properties of methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate?
methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108783643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).