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

C15H24N2O3 — CID 61059017

IUPAC3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-4-8-17-15(18)7-9-16-11-12-5-6-13(19-2)10-14(12)20-3/h5-6,10,16H,4,7-9,11H2,1-3H3,(H,17,18)
InChIKeyUODPAZHJWGGJRY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds9

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

3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide (PubChem CID 61059017) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
PubChem CID61059017
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNCc1ccc(OC)cc1OC
InChIInChI=1S/C15H24N2O3/c1-4-8-17-15(18)7-9-16-11-12-5-6-13(19-2)10-14(12)20-3/h5-6,10,16H,4,7-9,11H2,1-3H3,(H,17,18)
InChIKeyUODPAZHJWGGJRY-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
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

methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-propylacetamide
CID 43276397
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide (CID 61059017) is 3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide is CCCNC(=O)CCNCc1ccc(OC)cc1OC.
What is the InChIKey of 3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide?
The InChIKey is UODPAZHJWGGJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-8-17-15(18)7-9-16-11-12-5-6-13(19-2)10-14(12)20-3/h5-6,10,16H,4,7-9,11H2,1-3H3,(H,17,18).
What are the key properties of 3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide?
3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethoxyphenyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 61059017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).