4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide

C19H27N3O2 — CID 54834855

IUPAC4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESC=CCN(CC=C)C(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H27N3O2/c1-6-12-22(13-7-2)17(23)14-20-16-10-8-15(9-11-16)18(24)21-19(3,4)5/h6-11,20H,1-2,12-14H2,3-5H3,(H,21,24)
InChIKeySVNSOPBYGIYCQQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.83
Rot. Bonds8

About 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide

4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide (PubChem CID 54834855) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
PubChem CID54834855
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
SMILESC=CCN(CC=C)C(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H27N3O2/c1-6-12-22(13-7-2)17(23)14-20-16-10-8-15(9-11-16)18(24)21-19(3,4)5/h6-11,20H,1-2,12-14H2,3-5H3,(H,21,24)
InChIKeySVNSOPBYGIYCQQ-UHFFFAOYSA-N
XLogP2.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.83
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

4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
CID 54834492
4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835092
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
N-tert-butyl-4-(prop-2-enylcarbamothioylamino)benzamide
CID 26169537
2-(3-methoxyanilino)-N,N-bis(prop-2-enyl)acetamide
CID 54814741
4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834741
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
4-[4-(tert-butylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 53407470
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834565
N-tert-butyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzamide
CID 31699865
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The IUPAC name of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide (CID 54834855) is 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide is C=CCN(CC=C)C(=O)CNc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
The InChIKey is SVNSOPBYGIYCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-12-22(13-7-2)17(23)14-20-16-10-8-15(9-11-16)18(24)21-19(3,4)5/h6-11,20H,1-2,12-14H2,3-5H3,(H,21,24).
What are the key properties of 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide?
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide is sourced from PubChem (CID 54834855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).