3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide

C21H29N3O2 — CID 54817859

IUPAC3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide
SMILESC=CCN(CC=C)CC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H29N3O2/c1-3-13-24(14-4-2)16-20(25)22-19-12-8-9-17(15-19)21(26)23-18-10-6-5-7-11-18/h3-4,8-9,12,15,18H,1-2,5-7,10-11,13-14,16H2,(H,22,25)(H,23,26)
InChIKeyWULLQJBPBXRVHD-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.36
Rot. Bonds9

About 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide

3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 54817859) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide
PubChem CID54817859
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide
SMILESC=CCN(CC=C)CC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H29N3O2/c1-3-13-24(14-4-2)16-20(25)22-19-12-8-9-17(15-19)21(26)23-18-10-6-5-7-11-18/h3-4,8-9,12,15,18H,1-2,5-7,10-11,13-14,16H2,(H,22,25)(H,23,26)
InChIKeyWULLQJBPBXRVHD-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.36
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

N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
(E)-4-[3-(cyclohexylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17170491
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 47056867
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide (CID 54817859) is 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide is C=CCN(CC=C)CC(=O)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is WULLQJBPBXRVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-13-24(14-4-2)16-20(25)22-19-12-8-9-17(15-19)21(26)23-18-10-6-5-7-11-18/h3-4,8-9,12,15,18H,1-2,5-7,10-11,13-14,16H2,(H,22,25)(H,23,26).
What are the key properties of 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide?
3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 355.48 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 54817859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).