2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide

C15H24N2O3 — CID 62095764

IUPAC2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-4-7-17-15(18)12(10-16)8-11-5-6-13(19-2)14(9-11)20-3/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyDVMYCXZBJJBPNV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.35
Rot. Bonds8

About 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide

2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide (PubChem CID 62095764) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
PubChem CID62095764
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
SMILESCCCNC(=O)C(CN)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-4-7-17-15(18)12(10-16)8-11-5-6-13(19-2)14(9-11)20-3/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyDVMYCXZBJJBPNV-UHFFFAOYSA-N
XLogP1.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(3,4-difluorophenyl)-N-propylpropanamide
CID 62081171
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylpropanamide
CID 43087369
2-(aminomethyl)-3-(3-hydroxy-4-methoxyphenyl)-N-methylpropanamide
CID 62097179
2-(aminomethyl)-3-(3-hydroxyphenyl)-N-propylpropanamide
CID 62081872
(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 124512316
ethyl 2-(aminomethyl)-3-[3-(difluoromethoxy)-4-methoxyphenyl]propanoate
CID 43148359
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
2-(aminomethyl)-N-tert-butyl-3-(4-methoxy-3-methylphenyl)propanamide
CID 62131885
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 65096529
methyl 4-(3,4-dimethoxyphenyl)-3-(propylamino)butanoate
CID 82351427

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide (CID 62095764) is 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide is CCCNC(=O)C(CN)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide?
The InChIKey is DVMYCXZBJJBPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-7-17-15(18)12(10-16)8-11-5-6-13(19-2)14(9-11)20-3/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide?
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide is sourced from PubChem (CID 62095764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).