3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide

C18H35N3O — CID 23140466

IUPAC3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide
SMILESCC(C)CN(CC(C)C)C1CN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H35N3O/c1-14(2)10-20(11-15(3)4)17-12-21(13-17)18(22)19-16-8-6-5-7-9-16/h14-17H,5-13H2,1-4H3,(H,19,22)
InChIKeyPTYGLAKEGOEOLM-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.33
Rot. Bonds6

About 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide

3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide (PubChem CID 23140466) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide
PubChem CID23140466
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide
SMILESCC(C)CN(CC(C)C)C1CN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H35N3O/c1-14(2)10-20(11-15(3)4)17-12-21(13-17)18(22)19-16-8-6-5-7-9-16/h14-17H,5-13H2,1-4H3,(H,19,22)
InChIKeyPTYGLAKEGOEOLM-UHFFFAOYSA-N
XLogP3.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
1-Cyclohexyl-3-[2-(dimethylamino)ethyl]urea
CID 876098
3-Cyclohexyl-1,1-diisobutylurea
CID 4078219
N-Cyclohexyl-N'-(4-(diethylamino)-1-methylbutyl)urea
CID 4183839
N-cyclohexyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23139839
3-(dimethylamino)-N-hexylazetidine-1-carboxamide
CID 23139963
N-cyclohexyl-3-(diethylamino)azetidine-1-carboxamide
CID 23140027
N-cyclohexyl-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140050
N-cyclohexyl-3-(dimethylamino)azetidine-1-carboxamide
CID 23140103
N-cyclohexyl-3-[di(propan-2-yl)amino]azetidine-1-carboxamide
CID 23140132
3-[bis(2-methylpropyl)amino]-N-hexylazetidine-1-carboxamide
CID 23140152
N-cyclohexyl-3-(dipropylamino)azetidine-1-carboxamide
CID 23140163

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide (CID 23140466) is 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide is CC(C)CN(CC(C)C)C1CN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide?
The InChIKey is PTYGLAKEGOEOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-14(2)10-20(11-15(3)4)17-12-21(13-17)18(22)19-16-8-6-5-7-9-16/h14-17H,5-13H2,1-4H3,(H,19,22).
What are the key properties of 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide?
3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide has a molecular weight of 309.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-N-cyclohexylazetidine-1-carboxamide is sourced from PubChem (CID 23140466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).