3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide

C12H24N2O3 — CID 113423463

IUPAC3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C12H24N2O3/c1-17-8-11(15)5-6-14-12(16)9-3-2-4-10(13)7-9/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyYGHJAKGKPPPKTR-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds6

About 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide

3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide (PubChem CID 113423463) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide
PubChem CID113423463
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C12H24N2O3/c1-17-8-11(15)5-6-14-12(16)9-3-2-4-10(13)7-9/h9-11,15H,2-8,13H2,1H3,(H,14,16)
InChIKeyYGHJAKGKPPPKTR-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694990
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
2-cyclobutyl-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877418
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 62777041
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
CID 103876947
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide (CID 113423463) is 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide is COCC(O)CCNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide?
The InChIKey is YGHJAKGKPPPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-17-8-11(15)5-6-14-12(16)9-3-2-4-10(13)7-9/h9-11,15H,2-8,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide?
3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 113423463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).