2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide

C16H20N2O — CID 70518540

IUPAC2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide
SMILESC=CCN(CC=C)C(C=C)c1ccccc1C(N)=O
InChIInChI=1S/C16H20N2O/c1-4-11-18(12-5-2)15(6-3)13-9-7-8-10-14(13)16(17)19/h4-10,15H,1-3,11-12H2,(H2,17,19)
InChIKeyNSEDPJHRHMLWNA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.69
Rot. Bonds8

About 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide

2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide (PubChem CID 70518540) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide.

Molecular Properties

Compound Name2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide
PubChem CID70518540
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide
SMILESC=CCN(CC=C)C(C=C)c1ccccc1C(N)=O
InChIInChI=1S/C16H20N2O/c1-4-11-18(12-5-2)15(6-3)13-9-7-8-10-14(13)16(17)19/h4-10,15H,1-3,11-12H2,(H2,17,19)
InChIKeyNSEDPJHRHMLWNA-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide
CID 67613356
2-prop-2-enylbenzene-1,3-dicarboxamide
CID 67682969
2-[(1R)-1-hydroxy-2-phenylethyl]benzamide
CID 91365302
(2S)-2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 42179506
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 140559982
2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 140800245
2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
CID 171869290
CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
N-[1-(2-bromophenyl)prop-2-enyl]-2-phenyl-N-prop-2-enylacetamide
CID 101487414
2-(4-amino-1,2-dihydroxybutyl)benzamide
CID 171882384

Frequently Asked Questions

What is the IUPAC name of 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide?
The IUPAC name of 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide (CID 70518540) is 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide.
What is the SMILES notation for 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide?
The canonical SMILES for 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide is C=CCN(CC=C)C(C=C)c1ccccc1C(N)=O.
What is the InChIKey of 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide?
The InChIKey is NSEDPJHRHMLWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-11-18(12-5-2)15(6-3)13-9-7-8-10-14(13)16(17)19/h4-10,15H,1-3,11-12H2,(H2,17,19).
What are the key properties of 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide?
2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide has a molecular weight of 256.35 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[bis(prop-2-enyl)amino]prop-2-enyl]benzamide is sourced from PubChem (CID 70518540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).