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

C14H27N3O3 — CID 23139864

IUPAC3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(N(CCO)CCO)C1
InChIInChI=1S/C14H27N3O3/c18-8-6-16(7-9-19)13-10-17(11-13)14(20)15-12-4-2-1-3-5-12/h12-13,18-19H,1-11H2,(H,15,20)
InChIKeyHDUNSVGQJCUFPE-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.00
Rot. Bonds6

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

3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide (PubChem CID 23139864) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide
PubChem CID23139864
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CC(N(CCO)CCO)C1
InChIInChI=1S/C14H27N3O3/c18-8-6-16(7-9-19)13-10-17(11-13)14(20)15-12-4-2-1-3-5-12/h12-13,18-19H,1-11H2,(H,15,20)
InChIKeyHDUNSVGQJCUFPE-UHFFFAOYSA-N
XLogP-0.00
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexyl-N'-(2-hydroxyethyl)urea
CID 522238
1-[(1-cyclohexylpyrrolidin-2-yl)methyl]-3-[(2S)-2-hydroxypropyl]urea
CID 121535979
1-Cyclohexyl-4,5-dihydroxyimidazolidin-2-one
CID 130007322
3-Cyclohexyl-1-(2,2-difluoroethyl)-1-(2-hydroxyethyl)urea
CID 107479082
3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea
CID 126793964
1-Cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea
CID 167796778
1-Cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea
CID 12696599
N-cyclohexyl-3-morpholin-4-ylazetidine-1-carboxamide
CID 23139954
3-[bis(2-hydroxyethyl)amino]-N-hexylazetidine-1-carboxamide
CID 23140419
3-[bis(2-hydroxyethyl)amino]-N-cyclopentylazetidine-1-carboxamide
CID 23140727
1,3-Dicyclohexyl-1-(2-hydroxyethyl)urea
CID 54999035
5-Butyl-1-(2-hydroxyethyl)imidazolidin-2-one
CID 68113601

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide (CID 23139864) is 3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide is O=C(NC1CCCCC1)N1CC(N(CCO)CCO)C1.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide?
The InChIKey is HDUNSVGQJCUFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c18-8-6-16(7-9-19)13-10-17(11-13)14(20)15-12-4-2-1-3-5-12/h12-13,18-19H,1-11H2,(H,15,20).
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide?
3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N-cyclohexylazetidine-1-carboxamide is sourced from PubChem (CID 23139864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).