2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide

C15H21N3O2 — CID 103109148

IUPAC2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C15H21N3O2/c1-4-18(3)15(20)11(2)17-14(19)10-7-12-5-8-13(16)9-6-12/h5-11H,4,16H2,1-3H3,(H,17,19)/b10-7+
InChIKeyLNPFQIHLXYTNAU-JXMROGBWSA-N
MW275.35 g/mol
LogP1.26
Rot. Bonds5

About 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide

2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103109148) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103109148
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C15H21N3O2/c1-4-18(3)15(20)11(2)17-14(19)10-7-12-5-8-13(16)9-6-12/h5-11H,4,16H2,1-3H3,(H,17,19)/b10-7+
InChIKeyLNPFQIHLXYTNAU-JXMROGBWSA-N
XLogP1.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl (2S)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]propanoate
CID 115343095
(E)-3-(4-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343884
(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
CID 82944929
(E)-3-(4-aminophenyl)-N-(2-methylpentan-3-yl)prop-2-enamide
CID 113290901
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-diethylpropanamide
CID 115343009
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
(E)-3-(4-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 113290988
(E)-3-(4-aminophenyl)-N-(1-ethoxypropan-2-yl)prop-2-enamide
CID 113290911
1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 103109008
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide
CID 115342934
(E)-3-(4-aminophenyl)prop-2-enehydrazide
CID 79006134

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide (CID 103109148) is 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NC(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is LNPFQIHLXYTNAU-JXMROGBWSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18(3)15(20)11(2)17-14(19)10-7-12-5-8-13(16)9-6-12/h5-11H,4,16H2,1-3H3,(H,17,19)/b10-7+.
What are the key properties of 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide?
2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103109148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).