methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate

C20H35NO3 — CID 108745192

IUPACmethyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)NCC2CCCCC2C(=O)OC)CC1
InChIInChI=1S/C20H35NO3/c1-3-4-7-15-10-12-16(13-11-15)19(22)21-14-17-8-5-6-9-18(17)20(23)24-2/h15-18H,3-14H2,1-2H3,(H,21,22)
InChIKeyRLIPSWVFOGPDQX-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.08
Rot. Bonds7

About methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108745192) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID108745192
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Namemethyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)NCC2CCCCC2C(=O)OC)CC1
InChIInChI=1S/C20H35NO3/c1-3-4-7-15-10-12-16(13-11-15)19(22)21-14-17-8-5-6-9-18(17)20(23)24-2/h15-18H,3-14H2,1-2H3,(H,21,22)
InChIKeyRLIPSWVFOGPDQX-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[(4-butylcyclohexanecarbonyl)amino]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

4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 64912183
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018
methyl 2-[(oxolane-2-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 108745201
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
4-butylcyclohexane-1-carbohydrazide
CID 2063620
4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
CID 81429367
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
4-butyl-N-(6-iodohexyl)cyclohexane-1-carboxamide
CID 107848338

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate (CID 108745192) is methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate is CCCCC1CCC(C(=O)NCC2CCCCC2C(=O)OC)CC1.
What is the InChIKey of methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is RLIPSWVFOGPDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3/c1-3-4-7-15-10-12-16(13-11-15)19(22)21-14-17-8-5-6-9-18(17)20(23)24-2/h15-18H,3-14H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 337.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-butylcyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108745192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).