(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide

C20H31NO3 — CID 6075607

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
SMILESCCCCCCCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H31NO3/c1-4-5-6-7-8-9-10-15-21-20(22)14-12-17-11-13-18(23-2)19(16-17)24-3/h11-14,16H,4-10,15H2,1-3H3,(H,21,22)/b14-12+
InChIKeyXFCZOXZURUPSNY-WYMLVPIESA-N
MW333.47 g/mol
LogP4.58
Rot. Bonds12

About (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide (PubChem CID 6075607) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
PubChem CID6075607
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
SMILESCCCCCCCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H31NO3/c1-4-5-6-7-8-9-10-15-21-20(22)14-12-17-11-13-18(23-2)19(16-17)24-3/h11-14,16H,4-10,15H2,1-3H3,(H,21,22)/b14-12+
InChIKeyXFCZOXZURUPSNY-WYMLVPIESA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.58
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-hexadecylprop-2-enamide
CID 3419575
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75211078
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
(E)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-pentylprop-2-enamide
CID 19176956
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[4-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6277320
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534546
(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-hexylprop-2-enamide
CID 19201355
3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2932857
(E)-3-(3,4-dimethoxyphenyl)-N-[4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butyl]prop-2-enamide
CID 6443666

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide (CID 6075607) is (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide is CCCCCCCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide?
The InChIKey is XFCZOXZURUPSNY-WYMLVPIESA-N. The full InChI is InChI=1S/C20H31NO3/c1-4-5-6-7-8-9-10-15-21-20(22)14-12-17-11-13-18(23-2)19(16-17)24-3/h11-14,16H,4-10,15H2,1-3H3,(H,21,22)/b14-12+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide has a molecular weight of 333.47 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide is sourced from PubChem (CID 6075607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).