3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide

C18H23N3O2 — CID 94759139

IUPAC3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCc2ccccn2)cc1N
InChIInChI=1S/C18H23N3O2/c1-2-11-23-17-8-6-14(12-16(17)19)7-9-18(22)21-13-15-5-3-4-10-20-15/h3-6,8,10,12H,2,7,9,11,13,19H2,1H3,(H,21,22)
InChIKeyBKDSZSLKPIHFLQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.70
Rot. Bonds8

About 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide

3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 94759139) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID94759139
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCc2ccccn2)cc1N
InChIInChI=1S/C18H23N3O2/c1-2-11-23-17-8-6-14(12-16(17)19)7-9-18(22)21-13-15-5-3-4-10-20-15/h3-6,8,10,12H,2,7,9,11,13,19H2,1H3,(H,21,22)
InChIKeyBKDSZSLKPIHFLQ-UHFFFAOYSA-N
XLogP2.70
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide
CID 94760274
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
4-(3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)butanamide
CID 110410541
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
3-[3-(3-methoxy-4-propoxyphenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 135868713
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide (CID 94759139) is 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide is CCCOc1ccc(CCC(=O)NCc2ccccn2)cc1N.
What is the InChIKey of 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is BKDSZSLKPIHFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-11-23-17-8-6-14(12-16(17)19)7-9-18(22)21-13-15-5-3-4-10-20-15/h3-6,8,10,12H,2,7,9,11,13,19H2,1H3,(H,21,22).
What are the key properties of 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide?
3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 94759139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).