N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide

C20H26N2O4 — CID 109020525

IUPACN-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NCCC(=O)N(C)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H26N2O4/c1-22(14-15-8-6-5-7-9-15)19(23)10-11-21-16-12-17(24-2)20(26-4)18(13-16)25-3/h5-9,12-13,21H,10-11,14H2,1-4H3
InChIKeyYQRRRUZROFJYJV-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.17
Rot. Bonds9

About N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide

N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide (PubChem CID 109020525) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide
PubChem CID109020525
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide
SMILESCOc1cc(NCCC(=O)N(C)Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C20H26N2O4/c1-22(14-15-8-6-5-7-9-15)19(23)10-11-21-16-12-17(24-2)20(26-4)18(13-16)25-3/h5-9,12-13,21H,10-11,14H2,1-4H3
InChIKeyYQRRRUZROFJYJV-UHFFFAOYSA-N
XLogP3.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
CID 109020512
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
3-(3-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020497
1-N'-benzyl-1-N'-methyl-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975615
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 109020527
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
N-benzyl-3-[2-(4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 109020403
N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
CID 109020531
N-benzyl-N-methyl-3-(propylamino)propanamide
CID 109011497
N-benzyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-methylacetamide
CID 112992445
N-benzyl-3-[[N-[(2-methoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-methylpropanamide
CID 111282119

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide?
The IUPAC name of N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide (CID 109020525) is N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide is COc1cc(NCCC(=O)N(C)Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide?
The InChIKey is YQRRRUZROFJYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-22(14-15-8-6-5-7-9-15)19(23)10-11-21-16-12-17(24-2)20(26-4)18(13-16)25-3/h5-9,12-13,21H,10-11,14H2,1-4H3.
What are the key properties of N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide?
N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide has a molecular weight of 358.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide is sourced from PubChem (CID 109020525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).