(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide

C23H29NO3 — CID 19176956

IUPAC(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide
SMILESCCCCCNC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1
InChIInChI=1S/C23H29NO3/c1-4-5-8-15-24-23(25)14-12-19-11-13-21(22(16-19)26-3)27-17-20-10-7-6-9-18(20)2/h6-7,9-14,16H,4-5,8,15,17H2,1-3H3,(H,24,25)/b14-12+
InChIKeyYFVYDTFBOJYZCZ-WYMLVPIESA-N
MW367.49 g/mol
LogP4.90
Rot. Bonds10

About (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide

(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide (PubChem CID 19176956) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide
PubChem CID19176956
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide
SMILESCCCCCNC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1
InChIInChI=1S/C23H29NO3/c1-4-5-8-15-24-23(25)14-12-19-11-13-21(22(16-19)26-3)27-17-20-10-7-6-9-18(20)2/h6-7,9-14,16H,4-5,8,15,17H2,1-3H3,(H,24,25)/b14-12+
InChIKeyYFVYDTFBOJYZCZ-WYMLVPIESA-N
XLogP4.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-propan-2-ylprop-2-enamide
CID 19176949
(E)-N-(furan-2-ylmethyl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 19176977
3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 131846327
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
N-(4-chloro-2,5-dimethoxyphenyl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 3610452
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4586073
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 26086671

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide?
The IUPAC name of (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide (CID 19176956) is (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide.
What is the SMILES notation for (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide?
The canonical SMILES for (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide is CCCCCNC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1.
What is the InChIKey of (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide?
The InChIKey is YFVYDTFBOJYZCZ-WYMLVPIESA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-5-8-15-24-23(25)14-12-19-11-13-21(22(16-19)26-3)27-17-20-10-7-6-9-18(20)2/h6-7,9-14,16H,4-5,8,15,17H2,1-3H3,(H,24,25)/b14-12+.
What are the key properties of (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide?
(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide has a molecular weight of 367.49 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide is sourced from PubChem (CID 19176956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).