N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide

C16H26N2O3 — CID 60956837

IUPACN-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-12(2)18-16(19)8-9-17-11-13-6-7-14(20-3)15(10-13)21-4/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,18,19)
InChIKeyXPKVQGFYUSZWGY-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.10
Rot. Bonds9

About N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide

N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide (PubChem CID 60956837) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
PubChem CID60956837
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-5-12(2)18-16(19)8-9-17-11-13-6-7-14(20-3)15(10-13)21-4/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,18,19)
InChIKeyXPKVQGFYUSZWGY-UHFFFAOYSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684722
N-butan-2-yl-3-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111215315
N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786
4-[[[3-(butan-2-ylamino)-3-oxopropyl]amino]methyl]-2-fluorobenzoic acid
CID 106699780
N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 60956727
3-[(3-bromo-4-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 83236196
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-butan-2-yl-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanamide
CID 60956610
N-butan-2-yl-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 54893410
6-[(3,4-dimethoxyphenyl)methylamino]-4-methylhexanoic acid
CID 65289864

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide (CID 60956837) is N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide is CCC(C)NC(=O)CCNCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
The InChIKey is XPKVQGFYUSZWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-12(2)18-16(19)8-9-17-11-13-6-7-14(20-3)15(10-13)21-4/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,18,19).
What are the key properties of N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide?
N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide has a molecular weight of 294.39 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 60956837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).