N-(3-cyclohexylpropyl)prop-2-enamide

C12H21NO — CID 59687537

IUPACN-(3-cyclohexylpropyl)prop-2-enamide
SMILESC=CC(=O)NCCCC1CCCCC1
InChIInChI=1S/C12H21NO/c1-2-12(14)13-10-6-9-11-7-4-3-5-8-11/h2,11H,1,3-10H2,(H,13,14)
InChIKeyTXRKBGZHYYSUKA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds5

About N-(3-cyclohexylpropyl)prop-2-enamide

N-(3-cyclohexylpropyl)prop-2-enamide (PubChem CID 59687537) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)prop-2-enamide
PubChem CID59687537
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(3-cyclohexylpropyl)prop-2-enamide
SMILESC=CC(=O)NCCCC1CCCCC1
InChIInChI=1S/C12H21NO/c1-2-12(14)13-10-6-9-11-7-4-3-5-8-11/h2,11H,1,3-10H2,(H,13,14)
InChIKeyTXRKBGZHYYSUKA-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexylpropylcarbamic acid
CID 54479876
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[2-[(1S,2R)-2-hydroxycyclohexyl]ethyl]prop-2-enamide
CID 166415844
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
CID 90460311
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-[3-(4-oxocyclohex-2-en-1-yl)propyl]prop-2-enamide
CID 121009861
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylpropyl)prop-2-enamide?
The IUPAC name of N-(3-cyclohexylpropyl)prop-2-enamide (CID 59687537) is N-(3-cyclohexylpropyl)prop-2-enamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)prop-2-enamide?
The canonical SMILES for N-(3-cyclohexylpropyl)prop-2-enamide is C=CC(=O)NCCCC1CCCCC1.
What is the InChIKey of N-(3-cyclohexylpropyl)prop-2-enamide?
The InChIKey is TXRKBGZHYYSUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-12(14)13-10-6-9-11-7-4-3-5-8-11/h2,11H,1,3-10H2,(H,13,14).
What are the key properties of N-(3-cyclohexylpropyl)prop-2-enamide?
N-(3-cyclohexylpropyl)prop-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)prop-2-enamide is sourced from PubChem (CID 59687537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).