N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide

C16H31N3O — CID 23140132

IUPACN-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
SMILESCC(C)N(C(C)C)C1CN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-12(2)19(13(3)4)15-10-18(11-15)16(20)17-14-8-6-5-7-9-14/h12-15H,5-11H2,1-4H3,(H,17,20)
InChIKeyJERUXLIPKKAEJS-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.83
Rot. Bonds4

About N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide

N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide (PubChem CID 23140132) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
PubChem CID23140132
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
SMILESCC(C)N(C(C)C)C1CN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C16H31N3O/c1-12(2)19(13(3)4)15-10-18(11-15)16(20)17-14-8-6-5-7-9-14/h12-15H,5-11H2,1-4H3,(H,17,20)
InChIKeyJERUXLIPKKAEJS-UHFFFAOYSA-N
XLogP2.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide 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

Urea, N'-cyclohexyl-N,N-dimethyl-
CID 4594662
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
3-Butyl-1,1-dicyclohexylurea
CID 306516
1-Cyclohexyl-2-imidazolidinone
CID 580352
3-Cyclohexyl-1,1-diethylurea
CID 4338720
3-Cyclohexyl-1,1-dipropylurea
CID 5093082
1-Cyclohexyl-3-[2-(dimethylamino)ethyl]urea
CID 876098
N-(1-Cyclohexylpyrrolidin-3-yl)-N'-propan-2-ylcarbamimidic acid
CID 209545
3-Cyclohexyl-1,1-dibutylurea
CID 3398150
N,N-di-sec-butyl-N'-cyclohexylurea
CID 6467938
N-cyclohexyl-4-ethylpiperazine-1-carboxamide
CID 858169

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide (CID 23140132) is N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide is CC(C)N(C(C)C)C1CN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
The InChIKey is JERUXLIPKKAEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)19(13(3)4)15-10-18(11-15)16(20)17-14-8-6-5-7-9-14/h12-15H,5-11H2,1-4H3,(H,17,20).
What are the key properties of N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide?
N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide is sourced from PubChem (CID 23140132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).