N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide

C20H22N2O2 — CID 5153514

IUPACN-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)22-19(24)16-11-7-8-12-17(16)21-18(23)14-13-15-9-5-4-6-10-15/h4-14H,1-3H3,(H,21,23)(H,22,24)
InChIKeyWURIFFVLOYCBPP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.87
Rot. Bonds4

About N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide

N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide (PubChem CID 5153514) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
PubChem CID5153514
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-20(2,3)22-19(24)16-11-7-8-12-17(16)21-18(23)14-13-15-9-5-4-6-10-15/h4-14H,1-3H3,(H,21,23)(H,22,24)
InChIKeyWURIFFVLOYCBPP-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide
CID 98931509
2-(3-phenylprop-2-enoylamino)benzoate
CID 6935692
N-tert-butyl-2-[3-(4-fluorophenyl)prop-2-enoylcarbamothioylamino]benzamide
CID 4936582
4-[[2-(3-phenylprop-2-enoylamino)benzoyl]amino]benzoic acid
CID 1230925
(E)-N-[2-[(2-methylpropanoylamino)carbamoyl]phenyl]-3-phenylprop-2-enamide
CID 126006435
N-tert-butyl-2-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzamide
CID 98932077
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171
N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 17320578
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
1-tert-butyl-3-[[(E)-3-phenylprop-2-enoyl]amino]thiourea
CID 9425446

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide?
The IUPAC name of N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide (CID 5153514) is N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide?
The canonical SMILES for N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)C=Cc1ccccc1.
What is the InChIKey of N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide?
The InChIKey is WURIFFVLOYCBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-20(2,3)22-19(24)16-11-7-8-12-17(16)21-18(23)14-13-15-9-5-4-6-10-15/h4-14H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide?
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide is sourced from PubChem (CID 5153514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).