N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide

C16H26N2O3 — CID 109003052

IUPACN-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide
SMILESCCCCN(C)C(=O)CNCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-6-9-18(2)16(19)12-17-11-13-7-8-14(20-3)15(10-13)21-4/h7-8,10,17H,5-6,9,11-12H2,1-4H3
InChIKeyMUQLDUPHSLLMPP-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.05
Rot. Bonds9

About N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide

N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide (PubChem CID 109003052) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide
PubChem CID109003052
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide
SMILESCCCCN(C)C(=O)CNCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-6-9-18(2)16(19)12-17-11-13-7-8-14(20-3)15(10-13)21-4/h7-8,10,17H,5-6,9,11-12H2,1-4H3
InChIKeyMUQLDUPHSLLMPP-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342
N-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methylamino]-N-methylacetamide
CID 104923410
N-[(3,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641112
1-N'-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978430
1-butyl-3-[(3,4-dimethoxyphenyl)methyl]-1-propylurea
CID 108896769
2-[(3,4-dimethoxyphenyl)methylamino]-N-methyl-N-phenylacetamide
CID 109003065
3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109055697
N',N'-dibutyl-N-[(3,4-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214443
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
CID 62019095
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide?
The IUPAC name of N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide (CID 109003052) is N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide is CCCCN(C)C(=O)CNCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide?
The InChIKey is MUQLDUPHSLLMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-6-9-18(2)16(19)12-17-11-13-7-8-14(20-3)15(10-13)21-4/h7-8,10,17H,5-6,9,11-12H2,1-4H3.
What are the key properties of N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide?
N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide has a molecular weight of 294.39 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide is sourced from PubChem (CID 109003052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).