N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

C19H26N2O3S — CID 55432676

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(C)Cc2sccc2C)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-13-8-9-25-18(13)12-21(3)14(2)19(22)20-11-15-6-7-16(23-4)17(10-15)24-5/h6-10,14H,11-12H2,1-5H3,(H,20,22)
InChIKeyQXNBANQMCMZBHE-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.21
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (PubChem CID 55432676) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
PubChem CID55432676
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N(C)Cc2sccc2C)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-13-8-9-25-18(13)12-21(3)14(2)19(22)20-11-15-6-7-16(23-4)17(10-15)24-5/h6-10,14H,11-12H2,1-5H3,(H,20,22)
InChIKeyQXNBANQMCMZBHE-UHFFFAOYSA-N
XLogP3.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-methoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434103
methyl N-[(2S)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]propanoyl]carbamate
CID 8845343
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434107
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434105
N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 55432537
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
methyl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]methyl]benzoate
CID 46690122
(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 40952704
N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 17405259
2-[(3,4-dimethoxyphenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62639198
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55525636

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (CID 55432676) is N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is COc1ccc(CNC(=O)C(C)N(C)Cc2sccc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The InChIKey is QXNBANQMCMZBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-13-8-9-25-18(13)12-21(3)14(2)19(22)20-11-15-6-7-16(23-4)17(10-15)24-5/h6-10,14H,11-12H2,1-5H3,(H,20,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide has a molecular weight of 362.50 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 55432676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).