(E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide

C27H28N2O2 — CID 102343014

IUPAC(E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2/c1-27(2,3)28-26(31)25(22-15-9-5-10-16-22)29(23-17-11-6-12-18-23)24(30)20-19-21-13-7-4-8-14-21/h4-20,25H,1-3H3,(H,28,31)/b20-19+
InChIKeyRZNJXEGPVYFKBL-FMQUCBEESA-N
MW412.53 g/mol
LogP5.39
Rot. Bonds6

About (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide

(E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide (PubChem CID 102343014) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide
PubChem CID102343014
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O2/c1-27(2,3)28-26(31)25(22-15-9-5-10-16-22)29(23-17-11-6-12-18-23)24(30)20-19-21-13-7-4-8-14-21/h4-20,25H,1-3H3,(H,28,31)/b20-19+
InChIKeyRZNJXEGPVYFKBL-FMQUCBEESA-N
XLogP5.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N,3-diphenylprop-2-enamide
CID 154707342
(E)-N-[1-(4-bromophenyl)-2-(tert-butylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide
CID 154707340
(E)-N-(4-bromophenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 102343009
(E)-N-[1-(4-cyanophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N,3-diphenylprop-2-enamide
CID 154707344
2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 71306931
N-[(1R)-2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7434827
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)prop-2-enamide
CID 146148668
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3219164
N-(3-acetylphenyl)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 3221190
(E)-N-acetyl-N-benzhydryl-3-phenylprop-2-enamide
CID 10736922
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404334
N-tert-butyl-5,6-dihydroxy-2-[(4-methoxyphenyl)methyl-[(E)-3-phenylprop-2-enoyl]amino]hexanamide
CID 102361152

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide (CID 102343014) is (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide is CC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide?
The InChIKey is RZNJXEGPVYFKBL-FMQUCBEESA-N. The full InChI is InChI=1S/C27H28N2O2/c1-27(2,3)28-26(31)25(22-15-9-5-10-16-22)29(23-17-11-6-12-18-23)24(30)20-19-21-13-7-4-8-14-21/h4-20,25H,1-3H3,(H,28,31)/b20-19+.
What are the key properties of (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide?
(E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide has a molecular weight of 412.53 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-N,3-diphenylprop-2-enamide is sourced from PubChem (CID 102343014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).