3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C20H27N3O3 — CID 54837097

IUPAC3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESC=CCN(CC=C)C(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H27N3O3/c1-3-10-23(11-4-2)19(24)15-21-17-8-5-7-16(13-17)20(25)22-14-18-9-6-12-26-18/h3-5,7-8,13,18,21H,1-2,6,9-12,14-15H2,(H,22,25)
InChIKeyYIXHTHGNTRKXTJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.21
Rot. Bonds10

About 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54837097) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54837097
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESC=CCN(CC=C)C(=O)CNc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H27N3O3/c1-3-10-23(11-4-2)19(24)15-21-17-8-5-7-16(13-17)20(25)22-14-18-9-6-12-26-18/h3-5,7-8,13,18,21H,1-2,6,9-12,14-15H2,(H,22,25)
InChIKeyYIXHTHGNTRKXTJ-UHFFFAOYSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54837255
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836834
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837191
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837036
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54837097) is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is C=CCN(CC=C)C(=O)CNc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is YIXHTHGNTRKXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-10-23(11-4-2)19(24)15-21-17-8-5-7-16(13-17)20(25)22-14-18-9-6-12-26-18/h3-5,7-8,13,18,21H,1-2,6,9-12,14-15H2,(H,22,25).
What are the key properties of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 357.45 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54837097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).