(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide

C21H25NO5 — CID 32519046

IUPAC(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OCCOC)c2)cc1
InChIInChI=1S/C21H25NO5/c1-4-26-18-9-5-16(6-10-18)7-12-21(23)22-17-8-11-19(25-3)20(15-17)27-14-13-24-2/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)/b12-7+
InChIKeyHGLVUEOKHLZPQE-KPKJPENVSA-N
MW371.43 g/mol
LogP3.77
Rot. Bonds10

About (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide (PubChem CID 32519046) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
PubChem CID32519046
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OCCOC)c2)cc1
InChIInChI=1S/C21H25NO5/c1-4-26-18-9-5-16(6-10-18)7-12-21(23)22-17-8-11-19(25-3)20(15-17)27-14-13-24-2/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)/b12-7+
InChIKeyHGLVUEOKHLZPQE-KPKJPENVSA-N
XLogP3.77
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9102469
tert-butyl N-[5-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2-methoxyphenyl]carbamate
CID 55674213
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
CID 55744196
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174
(E)-N-[4-(dimethylamino)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 78776552
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 46461482
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8840134
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide (CID 32519046) is (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)c(OCCOC)c2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide?
The InChIKey is HGLVUEOKHLZPQE-KPKJPENVSA-N. The full InChI is InChI=1S/C21H25NO5/c1-4-26-18-9-5-16(6-10-18)7-12-21(23)22-17-8-11-19(25-3)20(15-17)27-14-13-24-2/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)/b12-7+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide has a molecular weight of 371.43 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 32519046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).