N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide

C13H24N2O — CID 78908844

IUPACN-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H24N2O/c1-4-8-14-9-13(16)15-12-7-5-6-10(2)11(12)3/h4,10-12,14H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyHEJXJGQZAINFAE-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.70
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide

N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide (PubChem CID 78908844) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
PubChem CID78908844
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H24N2O/c1-4-8-14-9-13(16)15-12-7-5-6-10(2)11(12)3/h4,10-12,14H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyHEJXJGQZAINFAE-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxycyclopentyl)-2-(prop-2-enylamino)acetamide
CID 79277800
methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
CID 47303429
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
N-cyclopentyl-2-(prop-2-enylamino)acetamide
CID 28563506
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
N-cyclooctyl-2-(prop-2-enylamino)acetamide
CID 78908315
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
2-(cyclopropylmethylamino)-N-(2-methylcyclopentyl)acetamide
CID 63281463
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-(2,3-dimethylcyclohexyl)decanamide;ethane
CID 143436811
N-(2,3-dimethylcyclohexyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 75501744
2-[(2,3-dimethylcyclohexyl)amino]-N-prop-2-enylpropanamide
CID 43087479

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide (CID 78908844) is N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is HEJXJGQZAINFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-8-14-9-13(16)15-12-7-5-6-10(2)11(12)3/h4,10-12,14H,1,5-9H2,2-3H3,(H,15,16).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 224.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78908844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).