N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide

C20H26N2O4 — CID 51129427

IUPACN-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H26N2O4/c1-24-17-10-9-16(19(25-2)20(17)26-3)14-21-12-11-18(23)22-13-15-7-5-4-6-8-15/h4-10,21H,11-14H2,1-3H3,(H,22,23)
InChIKeyZWBBLDXHOGNOEA-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.51
Rot. Bonds10

About N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide

N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide (PubChem CID 51129427) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
PubChem CID51129427
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NCc2ccccc2)c(OC)c1OC
InChIInChI=1S/C20H26N2O4/c1-24-17-10-9-16(19(25-2)20(17)26-3)14-21-12-11-18(23)22-13-15-7-5-4-6-8-15/h4-10,21H,11-14H2,1-3H3,(H,22,23)
InChIKeyZWBBLDXHOGNOEA-UHFFFAOYSA-N
XLogP2.51
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
CID 78998463
3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 43553337
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840
4-[(2,3,4-trimethoxyphenyl)methylamino]butanoic acid
CID 60782759
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
2-benzylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94049662
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
N-benzyl-3-(2-hydroxypropylamino)propanamide
CID 54048354
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
CID 78974984
5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide
CID 106234716

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide?
The IUPAC name of N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide (CID 51129427) is N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(=O)NCc2ccccc2)c(OC)c1OC.
What is the InChIKey of N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide?
The InChIKey is ZWBBLDXHOGNOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-24-17-10-9-16(19(25-2)20(17)26-3)14-21-12-11-18(23)22-13-15-7-5-4-6-8-15/h4-10,21H,11-14H2,1-3H3,(H,22,23).
What are the key properties of N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide?
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide has a molecular weight of 358.44 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 51129427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).