N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

C18H28N2O4 — CID 51338440

IUPACN-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C18H28N2O4/c1-18(2,3)17(22)19-10-6-7-16(21)20-12-13-8-9-14(23-4)15(11-13)24-5/h8-9,11H,6-7,10,12H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyZIGWOTLMFZIUQK-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.26
Rot. Bonds8

About N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 51338440) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID51338440
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C18H28N2O4/c1-18(2,3)17(22)19-10-6-7-16(21)20-12-13-8-9-14(23-4)15(11-13)24-5/h8-9,11H,6-7,10,12H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyZIGWOTLMFZIUQK-UHFFFAOYSA-N
XLogP2.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 34316547
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028189
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
CID 108949889
N-[(3,4-dimethoxyphenyl)methyl]-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960213
(E)-N-[[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-8-methylnon-6-enamide
CID 121355253
2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
CID 54897263
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9082453

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 51338440) is N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is COc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1OC.
What is the InChIKey of N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is ZIGWOTLMFZIUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,3)17(22)19-10-6-7-16(21)20-12-13-8-9-14(23-4)15(11-13)24-5/h8-9,11H,6-7,10,12H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 336.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 51338440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).