N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C22H35NO4 — CID 75211078

IUPACN-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCCCCCCCCCCNC(=O)C=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)
InChIKeyXDNARJPETFTOLN-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.98
Rot. Bonds14

About N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 75211078) has the molecular formula C22H35NO4 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID75211078
Molecular FormulaC22H35NO4
Molecular Weight377.53 g/mol
Exact Mass377.26
IUPAC NameN-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCCCCCCCCCCNC(=O)C=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)
InChIKeyXDNARJPETFTOLN-UHFFFAOYSA-N
XLogP4.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-3-(3-bromo-4,5-dimethoxyphenyl)-N-hexylprop-2-enamide
CID 19201355
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-pentylprop-2-enamide
CID 31482682
N-(4-pyrrolidin-1-ylbutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75355316
(E)-N-but-3-ynyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90537887
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
methyl 2,5-bis[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]pentanoate
CID 15957875
N-(cyanomethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3488907
methanesulfonate;triphenyl-[8-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]octyl]phosphanium
CID 139388717
methanesulfonate;triphenyl-[10-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]decyl]phosphanium
CID 139388728

Frequently Asked Questions

What is the IUPAC name of N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 75211078) is N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is CCCCCCCCCCNC(=O)C=Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is XDNARJPETFTOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24).
What are the key properties of N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 377.53 g/mol, XLogP of 4.98, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 75211078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).