3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide

C15H29NO2 — CID 111695608

IUPAC3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide
SMILESCC(O)CCN(C)C(=O)CC(C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-12(14-7-5-4-6-8-14)11-15(18)16(3)10-9-13(2)17/h12-14,17H,4-11H2,1-3H3
InChIKeyUNVPDYXSYCPDEU-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.82
Rot. Bonds6

About 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide

3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide (PubChem CID 111695608) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide
PubChem CID111695608
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide
SMILESCC(O)CCN(C)C(=O)CC(C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-12(14-7-5-4-6-8-14)11-15(18)16(3)10-9-13(2)17/h12-14,17H,4-11H2,1-3H3
InChIKeyUNVPDYXSYCPDEU-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid
CID 119172655
3-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylbutanamide
CID 111912372
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
3-cyclohexylbutanoate
CID 3992120
N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496931
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81043953
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
6-cyclohexyl-2-methylheptane-3,4-dione
CID 158402815
3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide
CID 113499567
(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 95305147

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide?
The IUPAC name of 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide (CID 111695608) is 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide.
What is the SMILES notation for 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide?
The canonical SMILES for 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide is CC(O)CCN(C)C(=O)CC(C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide?
The InChIKey is UNVPDYXSYCPDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(14-7-5-4-6-8-14)11-15(18)16(3)10-9-13(2)17/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide?
3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide has a molecular weight of 255.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(3-hydroxybutyl)-N-methylbutanamide is sourced from PubChem (CID 111695608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).