N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide

C20H34N2O3 — CID 110437749

IUPACN-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCCN(CC)CCCCNC(=O)C(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H34N2O3/c1-7-22(8-2)14-10-9-13-21-19(23)20(3,4)16-11-12-17(24-5)18(15-16)25-6/h11-12,15H,7-10,13-14H2,1-6H3,(H,21,23)
InChIKeyLFVXQHABQBESPY-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.22
Rot. Bonds11

About N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide

N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 110437749) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
PubChem CID110437749
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC NameN-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCCN(CC)CCCCNC(=O)C(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H34N2O3/c1-7-22(8-2)14-10-9-13-21-19(23)20(3,4)16-11-12-17(24-5)18(15-16)25-6/h11-12,15H,7-10,13-14H2,1-6H3,(H,21,23)
InChIKeyLFVXQHABQBESPY-UHFFFAOYSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
2-(3,4-dimethoxyphenyl)-2-methyl-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391625
2-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120832492
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437705
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pentylurea
CID 113216646
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
N-[5-(diethylamino)pentyl]-3-methoxythiophene-2-carboxamide
CID 110445941
2-(3,4-dimethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 120943522
N-(2,6-dimethoxyphenyl)-N',N'-diethylbutane-1,4-diamine
CID 174845555
N-[3-(diethylamino)propyl]-2,2-diphenylpropanamide
CID 57179015

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (CID 110437749) is N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is CCN(CC)CCCCNC(=O)C(C)(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is LFVXQHABQBESPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-7-22(8-2)14-10-9-13-21-19(23)20(3,4)16-11-12-17(24-5)18(15-16)25-6/h11-12,15H,7-10,13-14H2,1-6H3,(H,21,23).
What are the key properties of N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 350.50 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110437749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).