(2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide

C13H18N2O — CID 102293196

IUPAC(2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide
SMILESC=CC[C@H](CC)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H18N2O/c1-3-5-10(4-2)13(16)15-12-8-6-11(14)7-9-12/h3,6-10H,1,4-5,14H2,2H3,(H,15,16)/t10-/m0/s1
InChIKeyZHNVYXZGMXIUBU-JTQLQIEISA-N
MW218.30 g/mol
LogP2.81
Rot. Bonds5

About (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide

(2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide (PubChem CID 102293196) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide.

Molecular Properties

Compound Name(2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide
PubChem CID102293196
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide
SMILESC=CC[C@H](CC)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H18N2O/c1-3-5-10(4-2)13(16)15-12-8-6-11(14)7-9-12/h3,6-10H,1,4-5,14H2,2H3,(H,15,16)/t10-/m0/s1
InChIKeyZHNVYXZGMXIUBU-JTQLQIEISA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-[bis(prop-2-enyl)amino]propanamide
CID 82224550
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427
2-acetyl-N-(4-propylphenyl)pent-4-enamide
CID 87853698
3-ethylhex-5-en-2-one
CID 58995117

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide?
The IUPAC name of (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide (CID 102293196) is (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide.
What is the SMILES notation for (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide?
The canonical SMILES for (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide is C=CC[C@H](CC)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide?
The InChIKey is ZHNVYXZGMXIUBU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-10(4-2)13(16)15-12-8-6-11(14)7-9-12/h3,6-10H,1,4-5,14H2,2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide?
(2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide has a molecular weight of 218.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-aminophenyl)-2-ethylpent-4-enamide is sourced from PubChem (CID 102293196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).