(E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide

C16H25N3O — CID 115343885

IUPAC(E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
SMILESCCN(CC)CC(C)NC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C16H25N3O/c1-4-19(5-2)12-13(3)18-16(20)10-9-14-7-6-8-15(17)11-14/h6-11,13H,4-5,12,17H2,1-3H3,(H,18,20)/b10-9+
InChIKeyAUJOJSVCQFOCBJ-MDZDMXLPSA-N
MW275.40 g/mol
LogP2.13
Rot. Bonds7

About (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide

(E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide (PubChem CID 115343885) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
PubChem CID115343885
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
SMILESCCN(CC)CC(C)NC(=O)/C=C/c1cccc(N)c1
InChIInChI=1S/C16H25N3O/c1-4-19(5-2)12-13(3)18-16(20)10-9-14-7-6-8-15(17)11-14/h6-11,13H,4-5,12,17H2,1-3H3,(H,18,20)/b10-9+
InChIKeyAUJOJSVCQFOCBJ-MDZDMXLPSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.13
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

(E)-3-(4-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide
CID 115343884
(E)-3-(3-aminophenyl)-N-hexan-2-ylprop-2-enamide
CID 113290920
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-diethylpropanamide
CID 115343009
(E)-3-(3-aminophenyl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 115343736
(E)-3-(3-aminophenyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]prop-2-enamide
CID 115343753
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide
CID 115342801
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,N-dimethylpropanamide
CID 115342934
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
(E)-3-(3-aminophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 79023784
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 115343495
2-[[(E)-3-(3-aminophenyl)prop-2-enoyl]amino]-N,4-dimethylpentanamide
CID 115342997

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide (CID 115343885) is (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide is CCN(CC)CC(C)NC(=O)/C=C/c1cccc(N)c1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide?
The InChIKey is AUJOJSVCQFOCBJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19(5-2)12-13(3)18-16(20)10-9-14-7-6-8-15(17)11-14/h6-11,13H,4-5,12,17H2,1-3H3,(H,18,20)/b10-9+.
What are the key properties of (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide?
(E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide has a molecular weight of 275.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-[1-(diethylamino)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 115343885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).