(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide

C19H20N2O4 — CID 43916276

IUPAC(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O4/c1-3-18(15-7-11-17(25-2)12-8-15)20-19(22)13-6-14-4-9-16(10-5-14)21(23)24/h4-13,18H,3H2,1-2H3,(H,20,22)/b13-6+
InChIKeyWWECQNQEJOEGDP-AWNIVKPZSA-N
MW340.38 g/mol
LogP3.88
Rot. Bonds7

About (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide

(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 43916276) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID43916276
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
SMILESCCC(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20N2O4/c1-3-18(15-7-11-17(25-2)12-8-15)20-19(22)13-6-14-4-9-16(10-5-14)21(23)24/h4-13,18H,3H2,1-2H3,(H,20,22)/b13-6+
InChIKeyWWECQNQEJOEGDP-AWNIVKPZSA-N
XLogP3.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17328319
(E)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 100701224
(E)-3-(3,5-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)propyl]prop-2-enamide
CID 18090461
4-[(E)-3-[1-(4-methoxyphenyl)propylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002714
(E)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 99996750
(E)-N-(1-aminobutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 65193675
N-[1-(4-methoxyphenyl)propyl]-4-(4-nitroanilino)butanamide
CID 74637625
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 613031
(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17328320
(E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9091058
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 7852521
(E)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 26442165

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide (CID 43916276) is (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide is CCC(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1.
What is the InChIKey of (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is WWECQNQEJOEGDP-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-18(15-7-11-17(25-2)12-8-15)20-19(22)13-6-14-4-9-16(10-5-14)21(23)24/h4-13,18H,3H2,1-2H3,(H,20,22)/b13-6+.
What are the key properties of (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-methoxyphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 43916276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).