N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide

C14H22N2O3 — CID 28754050

IUPACN-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCN)cc1OC
InChIInChI=1S/C14H22N2O3/c1-18-12-6-4-11(10-13(12)19-2)5-7-14(17)16-9-3-8-15/h4,6,10H,3,5,7-9,15H2,1-2H3,(H,16,17)
InChIKeyOVUYSNCIOCNZBL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.10
Rot. Bonds8

About N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide

N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 28754050) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID28754050
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCCN)cc1OC
InChIInChI=1S/C14H22N2O3/c1-18-12-6-4-11(10-13(12)19-2)5-7-14(17)16-9-3-8-15/h4,6,10H,3,5,7-9,15H2,1-2H3,(H,16,17)
InChIKeyOVUYSNCIOCNZBL-UHFFFAOYSA-N
XLogP1.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.10
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

N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540155
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100603372
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
CID 119788188

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide (CID 28754050) is N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCCN)cc1OC.
What is the InChIKey of N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is OVUYSNCIOCNZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-12-6-4-11(10-13(12)19-2)5-7-14(17)16-9-3-8-15/h4,6,10H,3,5,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 28754050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).