(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide

C23H29NO5 — CID 7924138

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1OCCC
InChIInChI=1S/C23H29NO5/c1-5-13-28-21-10-8-18(16-22(21)29-14-6-2)24-23(25)12-7-17-15-19(26-3)9-11-20(17)27-4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,25)/b12-7+
InChIKeySRDUDRTTYTZARQ-KPKJPENVSA-N
MW399.49 g/mol
LogP4.93
Rot. Bonds11

About (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide (PubChem CID 7924138) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide
PubChem CID7924138
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1OCCC
InChIInChI=1S/C23H29NO5/c1-5-13-28-21-10-8-18(16-22(21)29-14-6-2)24-23(25)12-7-17-15-19(26-3)9-11-20(17)27-4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,25)/b12-7+
InChIKeySRDUDRTTYTZARQ-KPKJPENVSA-N
XLogP4.93
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8840134
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2590710
(E)-3-(5-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 43267828
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249
(E)-N-[4-[(2R)-butan-2-yl]phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7935696
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7962122
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
(E)-3-(4-ethoxyphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 32519046
(E)-N-[3-(3-cyanopropoxy)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 60531617

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide (CID 7924138) is (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide is CCCOc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1OCCC.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide?
The InChIKey is SRDUDRTTYTZARQ-KPKJPENVSA-N. The full InChI is InChI=1S/C23H29NO5/c1-5-13-28-21-10-8-18(16-22(21)29-14-6-2)24-23(25)12-7-17-15-19(26-3)9-11-20(17)27-4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,24,25)/b12-7+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide has a molecular weight of 399.49 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7924138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).