N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide

C13H23NO — CID 71510577

IUPACN-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide
SMILESC=C(C)C1CCC(C)(NC(=O)CC)CC1
InChIInChI=1S/C13H23NO/c1-5-12(15)14-13(4)8-6-11(7-9-13)10(2)3/h11H,2,5-9H2,1,3-4H3,(H,14,15)
InChIKeyIFTOJQXJWIBLAL-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.04
Rot. Bonds3

About N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide

N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide (PubChem CID 71510577) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide
PubChem CID71510577
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide
SMILESC=C(C)C1CCC(C)(NC(=O)CC)CC1
InChIInChI=1S/C13H23NO/c1-5-12(15)14-13(4)8-6-11(7-9-13)10(2)3/h11H,2,5-9H2,1,3-4H3,(H,14,15)
InChIKeyIFTOJQXJWIBLAL-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylcyclobutyl)propanamide
CID 115766065
N-(4-methylpiperidin-4-yl)propanamide
CID 114696244
1-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 155018164
N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
(1-acetyloxy-2-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate
CID 91573229
cis-(2S,5S)-2-methyl-2-(3-oxopentyl)-5-prop-1-en-2-ylcyclohexan-1-one
CID 11195724
N-(1-methyl-4-propan-2-ylcyclohexyl)acetamide
CID 146393556
ethyl 3-[(3aS,6R)-3a-methyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydroinden-1-yl]-3-oxopropanoate
CID 11953569
2-chloro-N-[4-[2-[(2-chloroacetyl)amino]propan-2-yl]-1-methylcyclohexyl]acetamide
CID 14435571
4-(aminomethyl)-N-(1-methylcyclopropyl)cyclohexane-1-carboxamide
CID 104963781
N-(1-methylcyclopropyl)-2-piperidin-4-ylacetamide
CID 115739550
N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine
CID 145088274

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide?
The IUPAC name of N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide (CID 71510577) is N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide.
What is the SMILES notation for N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide?
The canonical SMILES for N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide is C=C(C)C1CCC(C)(NC(=O)CC)CC1.
What is the InChIKey of N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide?
The InChIKey is IFTOJQXJWIBLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-12(15)14-13(4)8-6-11(7-9-13)10(2)3/h11H,2,5-9H2,1,3-4H3,(H,14,15).
What are the key properties of N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide?
N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide has a molecular weight of 209.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-prop-1-en-2-ylcyclohexyl)propanamide is sourced from PubChem (CID 71510577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).