(E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide

C23H22N2O5 — CID 24617380

IUPAC(E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCOc1cc(CCNC(=O)/C=C/c2cccc3ccccc23)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C23H22N2O5/c1-29-21-14-18(20(25(27)28)15-22(21)30-2)12-13-24-23(26)11-10-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,14-15H,12-13H2,1-2H3,(H,24,26)/b11-10+
InChIKeyDEEOGGGBMJLSRO-ZHACJKMWSA-N
MW406.44 g/mol
LogP4.14
Rot. Bonds8

About (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 24617380) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID24617380
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name(E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCOc1cc(CCNC(=O)/C=C/c2cccc3ccccc23)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C23H22N2O5/c1-29-21-14-18(20(25(27)28)15-22(21)30-2)12-13-24-23(26)11-10-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,14-15H,12-13H2,1-2H3,(H,24,26)/b11-10+
InChIKeyDEEOGGGBMJLSRO-ZHACJKMWSA-N
XLogP4.14
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide
CID 46637806
2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
CID 24517004
3-amino-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide
CID 119274215
1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612629
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 11326773
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methylbutanamide
CID 24622437
(E)-N-[(4-methyl-3-nitrophenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 6234792
3-bromo-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-methylindole-2-carboxamide
CID 46490443
3-(2-aminophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120608355
(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]prop-2-enamide
CID 46520978
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 17440543
N-[1-[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46656128

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide (CID 24617380) is (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide is COc1cc(CCNC(=O)/C=C/c2cccc3ccccc23)c([N+](=O)[O-])cc1OC.
What is the InChIKey of (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is DEEOGGGBMJLSRO-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-29-21-14-18(20(25(27)28)15-22(21)30-2)12-13-24-23(26)11-10-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,14-15H,12-13H2,1-2H3,(H,24,26)/b11-10+.
What are the key properties of (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 406.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 24617380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).