6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide

C21H30N2O3S — CID 5094204

IUPAC6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide
SMILESCOc1ccc(CCN(Cc2ccsc2)C(=O)CCCCCN)cc1OC
InChIInChI=1S/C21H30N2O3S/c1-25-19-8-7-17(14-20(19)26-2)9-12-23(15-18-10-13-27-16-18)21(24)6-4-3-5-11-22/h7-8,10,13-14,16H,3-6,9,11-12,15,22H2,1-2H3
InChIKeyQZGKIDRCPCSCCA-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.86
Rot. Bonds12

About 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide

6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide (PubChem CID 5094204) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide
PubChem CID5094204
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC Name6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide
SMILESCOc1ccc(CCN(Cc2ccsc2)C(=O)CCCCCN)cc1OC
InChIInChI=1S/C21H30N2O3S/c1-25-19-8-7-17(14-20(19)26-2)9-12-23(15-18-10-13-27-16-18)21(24)6-4-3-5-11-22/h7-8,10,13-14,16H,3-6,9,11-12,15,22H2,1-2H3
InChIKeyQZGKIDRCPCSCCA-UHFFFAOYSA-N
XLogP3.86
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
CID 78808455
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide
CID 4235664
N-(4-aminobutyl)-N-[3-[3-[4-aminobutyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]propylamino]propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 146199362
ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate
CID 124908731
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 22954106
N-(3-aminopropyl)-N-[3-[3-[3-aminopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]propylamino]propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 145301444
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
7-amino-N-phenyl-N-(thiophen-3-ylmethyl)heptanamide
CID 119767431
N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide
CID 42702423
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)nonanamide
CID 4308639

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide?
The IUPAC name of 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide (CID 5094204) is 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide.
What is the SMILES notation for 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide?
The canonical SMILES for 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide is COc1ccc(CCN(Cc2ccsc2)C(=O)CCCCCN)cc1OC.
What is the InChIKey of 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide?
The InChIKey is QZGKIDRCPCSCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-25-19-8-7-17(14-20(19)26-2)9-12-23(15-18-10-13-27-16-18)21(24)6-4-3-5-11-22/h7-8,10,13-14,16H,3-6,9,11-12,15,22H2,1-2H3.
What are the key properties of 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide?
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide has a molecular weight of 390.55 g/mol, XLogP of 3.86, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide is sourced from PubChem (CID 5094204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).