N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

C21H27NO6 — CID 55870487

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1cc(CNC(=O)CCc2ccc(OC)c(OC)c2OC)cc(OC)c1
InChIInChI=1S/C21H27NO6/c1-24-16-10-14(11-17(12-16)25-2)13-22-19(23)9-7-15-6-8-18(26-3)21(28-5)20(15)27-4/h6,8,10-12H,7,9,13H2,1-5H3,(H,22,23)
InChIKeyRLOYABNDDFWCIP-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.98
Rot. Bonds10

About N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide

N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 55870487) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID55870487
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1cc(CNC(=O)CCc2ccc(OC)c(OC)c2OC)cc(OC)c1
InChIInChI=1S/C21H27NO6/c1-24-16-10-14(11-17(12-16)25-2)13-22-19(23)9-7-15-6-8-18(26-3)21(28-5)20(15)27-4/h6,8,10-12H,7,9,13H2,1-5H3,(H,22,23)
InChIKeyRLOYABNDDFWCIP-UHFFFAOYSA-N
XLogP2.98
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine;oxalic acid
CID 146115791
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55881030
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine;hydrochloride
CID 47052559
N-[(3,5-dimethoxyphenyl)methyl]-3-(1H-indol-4-yl)propanamide
CID 53160300
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55880789

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide (CID 55870487) is N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is COc1cc(CNC(=O)CCc2ccc(OC)c(OC)c2OC)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is RLOYABNDDFWCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6/c1-24-16-10-14(11-17(12-16)25-2)13-22-19(23)9-7-15-6-8-18(26-3)21(28-5)20(15)27-4/h6,8,10-12H,7,9,13H2,1-5H3,(H,22,23).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide?
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 389.45 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55870487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).