N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide

C12H21NO3 — CID 103876947

IUPACN-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1CC=CCC1
InChIInChI=1S/C12H21NO3/c1-16-9-11(14)7-8-13-12(15)10-5-3-2-4-6-10/h2-3,10-11,14H,4-9H2,1H3,(H,13,15)
InChIKeyCMZDNKWEAARNRP-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.86
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide

N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide (PubChem CID 103876947) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
PubChem CID103876947
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1CC=CCC1
InChIInChI=1S/C12H21NO3/c1-16-9-11(14)7-8-13-12(15)10-5-3-2-4-6-10/h2-3,10-11,14H,4-9H2,1H3,(H,13,15)
InChIKeyCMZDNKWEAARNRP-UHFFFAOYSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
3-amino-N-(3-hydroxy-4-methoxybutyl)cyclohexane-1-carboxamide
CID 113423463
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103877346
N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106242608
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
CID 106247580
N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide
CID 43009468
(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 97106297
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
CID 80506610
2-cyclopropyl-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877567
methyl 4-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]piperidine-1-carboxylate
CID 97040487

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide (CID 103876947) is N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide is COCC(O)CCNC(=O)C1CC=CCC1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is CMZDNKWEAARNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-9-11(14)7-8-13-12(15)10-5-3-2-4-6-10/h2-3,10-11,14H,4-9H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide?
N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 103876947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).