N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide

C20H29N3O3 — CID 89029759

IUPACN-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide
SMILESC=C(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H29N3O3/c1-12(2)16(24)21-14-9-13(17(25)23-20(6,7)8)10-15(11-14)22-18(26)19(3,4)5/h9-11H,1H2,2-8H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyRBLPZJPCBSFCNY-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.71
Rot. Bonds4

About N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide

N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide (PubChem CID 89029759) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide
PubChem CID89029759
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide
SMILESC=C(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H29N3O3/c1-12(2)16(24)21-14-9-13(17(25)23-20(6,7)8)10-15(11-14)22-18(26)19(3,4)5/h9-11H,1H2,2-8H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyRBLPZJPCBSFCNY-UHFFFAOYSA-N
XLogP3.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylprop-2-enoylamino)benzene-1,3-dicarboxylic acid
CID 773544
3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 58903239
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
5-(2,2-dimethylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 749542
N-tert-butyl-2-[4-(2,2-dimethylpropanoylamino)-2-pyridinyl]pyridine-4-carboxamide
CID 101130382
N-tert-butyl-3,5-bis[(2-phenylacetyl)amino]benzamide
CID 1370326
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
N-[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl]-2-methylprop-2-enamide
CID 21321041
N-tert-butyl-3-(2,2-dimethylpropanoylcarbamothioylamino)benzamide
CID 28639697
2-[[3-[(2-carboxylatophenyl)carbamoyl]-5-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 2305962
N-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 171977413
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide?
The IUPAC name of N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide (CID 89029759) is N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide?
The canonical SMILES for N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide is C=C(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide?
The InChIKey is RBLPZJPCBSFCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-12(2)16(24)21-14-9-13(17(25)23-20(6,7)8)10-15(11-14)22-18(26)19(3,4)5/h9-11H,1H2,2-8H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide?
N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide has a molecular weight of 359.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,2-dimethylpropanoylamino)-5-(2-methylprop-2-enoylamino)benzamide is sourced from PubChem (CID 89029759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).