N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide

C14H28N2O2 — CID 111496931

IUPACN-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCC(O)CCN(C)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(17)9-10-16(3)12(2)14(18)15-13-7-5-4-6-8-13/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyJNPKOXIINATIDV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds6

About N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide

N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide (PubChem CID 111496931) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
PubChem CID111496931
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCC(O)CCN(C)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(17)9-10-16(3)12(2)14(18)15-13-7-5-4-6-8-13/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyJNPKOXIINATIDV-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylpropanamide
CID 43116824
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343
3-cyclobutyl-1-(3-hydroxybutyl)-1-methylurea
CID 115735319
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]-2-methylpropanoic acid
CID 55007305
(2R)-2-[2-(4-bromophenoxy)ethyl-methylamino]-N-cyclohexylpropanamide
CID 25494848
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
(2S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-cyclopentylpropanamide
CID 7830989
2-[4-aminobutan-2-yl(methyl)amino]-N-cyclopentylpropanamide
CID 63225297
N-cyclopentyl-2-[methyl(piperidin-3-ylmethyl)amino]propanamide
CID 106636337
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
2-[2-aminoethyl(cyclobutyl)amino]-N-cyclohexylpropanamide
CID 102875118

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide (CID 111496931) is N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide is CC(O)CCN(C)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide?
The InChIKey is JNPKOXIINATIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(17)9-10-16(3)12(2)14(18)15-13-7-5-4-6-8-13/h11-13,17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide?
N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide is sourced from PubChem (CID 111496931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).