N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide

C16H26N2O3 — CID 109032275

IUPACN-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C16H26N2O3/c1-4-5-6-10-17-11-9-16(19)18-14-8-7-13(20-2)12-15(14)21-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyFHWQHUIRECNSQP-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.81
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide

N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide (PubChem CID 109032275) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
PubChem CID109032275
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C16H26N2O3/c1-4-5-6-10-17-11-9-16(19)18-14-8-7-13(20-2)12-15(14)21-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyFHWQHUIRECNSQP-UHFFFAOYSA-N
XLogP2.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.81
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-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
CID 109012115
2,4-dimethoxy-N-pentylaniline
CID 28570496
N-(2,4-dimethoxyphenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 18269206
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
CID 54814780
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109012484
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide (CID 109032275) is N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide is CCCCCNCCC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide?
The InChIKey is FHWQHUIRECNSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-5-6-10-17-11-9-16(19)18-14-8-7-13(20-2)12-15(14)21-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide?
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide has a molecular weight of 294.39 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide is sourced from PubChem (CID 109032275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).