N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide

C22H28N2O4 — CID 46630573

IUPACN-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
SMILESC=CCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-6-13-28-19-10-7-17(8-11-19)15-24(3)16(2)22(25)23-18-9-12-20(26-4)21(14-18)27-5/h6-12,14,16H,1,13,15H2,2-5H3,(H,23,25)
InChIKeyCLXJTEIGUFPHKB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.73
Rot. Bonds10

About N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide

N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide (PubChem CID 46630573) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
PubChem CID46630573
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
SMILESC=CCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-6-13-28-19-10-7-17(8-11-19)15-24(3)16(2)22(25)23-18-9-12-20(26-4)21(14-18)27-5/h6-12,14,16H,1,13,15H2,2-5H3,(H,23,25)
InChIKeyCLXJTEIGUFPHKB-UHFFFAOYSA-N
XLogP3.73
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(3-methoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 9167652
4-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanoylamino]benzamide
CID 17424194
(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 2504362
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 26374826
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444904
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42911485
N-(ethylcarbamoyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 46614571
(2S)-2-[(4-ethoxyphenyl)methyl-methylamino]-N-(4-ethylphenyl)propanamide
CID 8515256
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8024150
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-naphthalen-2-ylpropanamide
CID 55628174
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide (CID 46630573) is N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide is C=CCOc1ccc(CN(C)C(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
The InChIKey is CLXJTEIGUFPHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-6-13-28-19-10-7-17(8-11-19)15-24(3)16(2)22(25)23-18-9-12-20(26-4)21(14-18)27-5/h6-12,14,16H,1,13,15H2,2-5H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide?
N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 46630573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).