butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

C23H42N2O4 — CID 11742316

IUPACbutyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCCCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCCC)CC2)CC1
InChIInChI=1S/C23H42N2O4/c1-3-5-15-28-22(26)24-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)25-23(27)29-16-6-4-2/h18-21H,3-17H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXPMSIFQMNOZZLL-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.55
Rot. Bonds10

About butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (PubChem CID 11742316) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namebutyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
PubChem CID11742316
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC Namebutyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCCCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCCC)CC2)CC1
InChIInChI=1S/C23H42N2O4/c1-3-5-15-28-22(26)24-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)25-23(27)29-16-6-4-2/h18-21H,3-17H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyXPMSIFQMNOZZLL-UHFFFAOYSA-N
XLogP5.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]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-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 756999
Poly[oxy(methyl-1,2-ethanediyl)], alpha-hydro-omega-hydroxy-, polymer with 1,1'-methylenebis[4-isocyanatocyclohexane]
CID 139648367
4-cyclohexylbutyl N-cyclohexylcarbamate
CID 22978793
Tecoflex
CID 3086063
Diethylhexyl IPDI
CID 54482767
Dibutylhexyl IPDI
CID 71587602
trans-4-Methylcyclohexyl urethane
CID 57270140
4-[[4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]carbamoyloxy]butyl N-[4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]carbamate
CID 139474799
2,2,2-trifluoroethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 71233696
2,2,3,3-tetrafluoropropyl N-[4-[[4-(2,2,3,3-tetrafluoropropoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 88898555
2,2,3,3,4,4,5,5-octafluoropentyl N-[4-[[4-(2,2,3,3,4,4,5-heptafluoropentoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 88898560
2,2,3,3,4,4,5,5-octafluoropentyl N-[4-[[4-(2,2,3,3,4,4,5,5-octafluoropentoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 88898608

Frequently Asked Questions

What is the IUPAC name of butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The IUPAC name of butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (CID 11742316) is butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The canonical SMILES for butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is CCCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCCC)CC2)CC1.
What is the InChIKey of butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The InChIKey is XPMSIFQMNOZZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-3-5-15-28-22(26)24-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)25-23(27)29-16-6-4-2/h18-21H,3-17H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate has a molecular weight of 410.60 g/mol, XLogP of 5.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 11742316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).