benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine

C21H35N3O3 — CID 157386360

IUPACbenzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine
SMILESCCN(CC)CC.NC(=O)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H20N2O3.C6H15N/c16-14(18)12-6-8-13(9-7-12)17-15(19)20-10-11-4-2-1-3-5-11;1-4-7(5-2)6-3/h1-5,12-13H,6-10H2,(H2,16,18)(H,17,19);4-6H2,1-3H3
InChIKeyBLMCSWXAHPONSI-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.31
Rot. Bonds7

About benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine

benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine (PubChem CID 157386360) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine.

Molecular Properties

Compound Namebenzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine
PubChem CID157386360
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Namebenzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine
SMILESCCN(CC)CC.NC(=O)C1CCC(NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H20N2O3.C6H15N/c16-14(18)12-6-8-13(9-7-12)17-15(19)20-10-11-4-2-1-3-5-11;1-4-7(5-2)6-3/h1-5,12-13H,6-10H2,(H2,16,18)(H,17,19);4-6H2,1-3H3
InChIKeyBLMCSWXAHPONSI-UHFFFAOYSA-N
XLogP3.31
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine 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

benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate
CID 66564308
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate
CID 70913909
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine?
The IUPAC name of benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine (CID 157386360) is benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine.
What is the SMILES notation for benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine?
The canonical SMILES for benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine is CCN(CC)CC.NC(=O)C1CCC(NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine?
The InChIKey is BLMCSWXAHPONSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.C6H15N/c16-14(18)12-6-8-13(9-7-12)17-15(19)20-10-11-4-2-1-3-5-11;1-4-7(5-2)6-3/h1-5,12-13H,6-10H2,(H2,16,18)(H,17,19);4-6H2,1-3H3.
What are the key properties of benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine?
benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine has a molecular weight of 377.53 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine is sourced from PubChem (CID 157386360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).