(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide

C18H20N2O — CID 115344062

IUPAC(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
SMILESCC(Cc1ccccc1)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C18H20N2O/c1-14(13-16-5-3-2-4-6-16)20-18(21)12-9-15-7-10-17(19)11-8-15/h2-12,14H,13,19H2,1H3,(H,20,21)/b12-9+
InChIKeyHWQGUBXEZSQYJJ-FMIVXFBMSA-N
MW280.37 g/mol
LogP3.03
Rot. Bonds5

About (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide

(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide (PubChem CID 115344062) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
PubChem CID115344062
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
SMILESCC(Cc1ccccc1)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C18H20N2O/c1-14(13-16-5-3-2-4-6-16)20-18(21)12-9-15-7-10-17(19)11-8-15/h2-12,14H,13,19H2,1H3,(H,20,21)/b12-9+
InChIKeyHWQGUBXEZSQYJJ-FMIVXFBMSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]prop-2-enamide
CID 882618
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
CID 82944929
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
(E)-3-(4-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343884
(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide
CID 113290911
(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide
CID 6445083
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 1001333

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide (CID 115344062) is (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide is CC(Cc1ccccc1)NC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide?
The InChIKey is HWQGUBXEZSQYJJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14(13-16-5-3-2-4-6-16)20-18(21)12-9-15-7-10-17(19)11-8-15/h2-12,14H,13,19H2,1H3,(H,20,21)/b12-9+.
What are the key properties of (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide?
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 115344062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).