ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate

C23H28N2O3 — CID 14977501

IUPACethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-28-21(26)18-11-13-20(14-12-18)25-22(27)24-17-23(15-7-4-8-16-23)19-9-5-3-6-10-19/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3,(H2,24,25,27)
InChIKeyBXDBTPJMMUFTAP-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.89
Rot. Bonds6

About ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate

ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate (PubChem CID 14977501) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate
PubChem CID14977501
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-28-21(26)18-11-13-20(14-12-18)25-22(27)24-17-23(15-7-4-8-16-23)19-9-5-3-6-10-19/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3,(H2,24,25,27)
InChIKeyBXDBTPJMMUFTAP-UHFFFAOYSA-N
XLogP4.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate 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

ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoate
CID 81400595
ethyl 4-[(1-phenylcyclopentyl)methylcarbamoylamino]butanoate
CID 112806288
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-(1-adamantylmethylcarbamoylamino)benzoate
CID 2926457
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
ethyl 2-oxo-2-[(1-phenylcyclopropyl)methylamino]acetate
CID 110471120

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate?
The IUPAC name of ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate (CID 14977501) is ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NCC2(c3ccccc3)CCCCC2)cc1.
What is the InChIKey of ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate?
The InChIKey is BXDBTPJMMUFTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-28-21(26)18-11-13-20(14-12-18)25-22(27)24-17-23(15-7-4-8-16-23)19-9-5-3-6-10-19/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3,(H2,24,25,27).
What are the key properties of ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate?
ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate has a molecular weight of 380.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-phenylcyclohexyl)methylcarbamoylamino]benzoate is sourced from PubChem (CID 14977501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).