2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide

C15H26N2O — CID 54817593

IUPAC2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide
SMILESC=CCN(CC=C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-4-11-17(12-5-2)13-15(18)16(3)14-9-7-6-8-10-14/h4-5,14H,1-2,6-13H2,3H3
InChIKeyYFJFBKNJLHQOLO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.45
Rot. Bonds7

About 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide

2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide (PubChem CID 54817593) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide
PubChem CID54817593
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide
SMILESC=CCN(CC=C)CC(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H26N2O/c1-4-11-17(12-5-2)13-15(18)16(3)14-9-7-6-8-10-14/h4-5,14H,1-2,6-13H2,3H3
InChIKeyYFJFBKNJLHQOLO-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclohexylpiperazin-1-yl)-N,N-bis(prop-2-enyl)propanamide
CID 3229539
2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072753
N-{[(4,4-difluorocyclohexyl)(methyl)carbamoyl]methyl}-N-ethylprop-2-enamide
CID 154795092
N-allyl-N'-cyclohexylethanediamide
CID 2058141
N-allyl-N-isopropyl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 56751437
N-cyclohexyl-N-prop-2-enylpropanamide
CID 13061423
N-cyclohexyl-N-prop-2-enylacetamide
CID 13839472
1-[2-[(Dimethylamino)methyl]piperidin-1-yl]prop-2-en-1-one
CID 23034763
N-cyclohexyl-2-(dimethylamino)-N-methylacetamide
CID 54844082
4-Pentyl-1-prop-2-enylpiperazin-2-one
CID 68905852
1-pentyl-4-prop-2-enyl-2H-pyrazin-3-one
CID 68978153
[2-(Dicyclohexylamino)-2-oxoethyl]-methyl-bis(prop-2-enyl)azanium chloride
CID 88621980

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide (CID 54817593) is 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide is C=CCN(CC=C)CC(=O)N(C)C1CCCCC1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide?
The InChIKey is YFJFBKNJLHQOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-11-17(12-5-2)13-15(18)16(3)14-9-7-6-8-10-14/h4-5,14H,1-2,6-13H2,3H3.
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide?
2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide has a molecular weight of 250.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 54817593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).