(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide

C18H20N2O — CID 115344734

IUPAC(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
SMILESCc1ccc([C@H](C)NC(=O)/C=C/c2cccc(N)c2)cc1
InChIInChI=1S/C18H20N2O/c1-13-6-9-16(10-7-13)14(2)20-18(21)11-8-15-4-3-5-17(19)12-15/h3-12,14H,19H2,1-2H3,(H,20,21)/b11-8+/t14-/m0/s1
InChIKeyRXMIKXANHBRWDS-ZHZWZMEUSA-N
MW280.37 g/mol
LogP3.47
Rot. Bonds4

About (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide

(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide (PubChem CID 115344734) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
PubChem CID115344734
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide
SMILESCc1ccc([C@H](C)NC(=O)/C=C/c2cccc(N)c2)cc1
InChIInChI=1S/C18H20N2O/c1-13-6-9-16(10-7-13)14(2)20-18(21)11-8-15-4-3-5-17(19)12-15/h3-12,14H,19H2,1-2H3,(H,20,21)/b11-8+/t14-/m0/s1
InChIKeyRXMIKXANHBRWDS-ZHZWZMEUSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.47
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-(3-aminophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 79023784
(E)-3-(3-aminophenyl)-N-(1-pyridin-4-ylethyl)prop-2-enamide
CID 115342860
(E)-3-(3-aminophenyl)-N-(1-thiophen-3-ylethyl)prop-2-enamide
CID 115344020
(E)-3-(3-aminophenyl)-N-[(1R)-1-pyridin-3-ylethyl]prop-2-enamide
CID 115344800
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenyl)prop-2-enamide
CID 9410111
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
(E)-3-(3-aminophenyl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 115343736
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 115343495
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide
CID 115342934
(E)-3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]prop-2-enamide
CID 28576987
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide (CID 115344734) is (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide is Cc1ccc([C@H](C)NC(=O)/C=C/c2cccc(N)c2)cc1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is RXMIKXANHBRWDS-ZHZWZMEUSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-6-9-16(10-7-13)14(2)20-18(21)11-8-15-4-3-5-17(19)12-15/h3-12,14H,19H2,1-2H3,(H,20,21)/b11-8+/t14-/m0/s1.
What are the key properties of (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide?
(E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 115344734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).