N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide

C15H30N2O2 — CID 64542116

IUPACN-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC(N)C(C)O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-4-5-12-6-8-13(9-7-12)15(19)17-10-14(16)11(2)18/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyGWGGGDRFBFXEGY-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.81
Rot. Bonds7

About N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide

N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide (PubChem CID 64542116) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
PubChem CID64542116
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC(N)C(C)O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-4-5-12-6-8-13(9-7-12)15(19)17-10-14(16)11(2)18/h11-14,18H,3-10,16H2,1-2H3,(H,17,19)
InChIKeyGWGGGDRFBFXEGY-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-ethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106288113
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
N-(2-amino-3-hydroxybutyl)thiolane-3-carboxamide
CID 64542327
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
CID 103899307
4-butyl-N-[(3-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 103280018

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide (CID 64542116) is N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCC(N)C(C)O)CC1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide?
The InChIKey is GWGGGDRFBFXEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-4-5-12-6-8-13(9-7-12)15(19)17-10-14(16)11(2)18/h11-14,18H,3-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide?
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 64542116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).