(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide

C14H19ClN2O — CID 83969210

IUPAC(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide
SMILESCCN(CCCN)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-2-17(11-3-10-16)14(18)9-6-12-4-7-13(15)8-5-12/h4-9H,2-3,10-11,16H2,1H3/b9-6+
InChIKeyVPQCBGGGJXZYFX-RMKNXTFCSA-N
MW266.77 g/mol
LogP2.55
Rot. Bonds6

About (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide

(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide (PubChem CID 83969210) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide
PubChem CID83969210
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide
SMILESCCN(CCCN)C(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O/c1-2-17(11-3-10-16)14(18)9-6-12-4-7-13(15)8-5-12/h4-9H,2-3,10-11,16H2,1H3/b9-6+
InChIKeyVPQCBGGGJXZYFX-RMKNXTFCSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-aminobutyl)-N-ethyl-3-(4-methylphenyl)prop-2-enamide
CID 83969259
methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]-ethylamino]acetate
CID 54979370
N-(3-aminopropyl)-N-[4-[3-aminopropyl(3-phenylprop-2-enoyl)amino]butyl]-3-phenylprop-2-enamide
CID 85302044
ethyl 3-[3-(4-chlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76923124
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606
3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700874
(E)-N,N-di(butan-2-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 6272400
2-[(2-amino-2-oxoethyl)-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]acetic acid
CID 107434261
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
ethyl 3-[[(E)-3-(4-aminophenyl)prop-2-enoyl]-ethylamino]propanoate
CID 84552732
3-[ethyl-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]propanoic acid
CID 61007476
(E)-3-(4-chlorophenyl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 113248547

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide?
The IUPAC name of (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide (CID 83969210) is (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide?
The canonical SMILES for (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide is CCN(CCCN)C(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide?
The InChIKey is VPQCBGGGJXZYFX-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-17(11-3-10-16)14(18)9-6-12-4-7-13(15)8-5-12/h4-9H,2-3,10-11,16H2,1H3/b9-6+.
What are the key properties of (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide?
(E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide has a molecular weight of 266.77 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-aminopropyl)-3-(4-chlorophenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 83969210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).