N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide

C17H21N3O2 — CID 109023401

IUPACN-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESCCOc1ccccc1NC(=O)CCNCc1ccccn1
InChIInChI=1S/C17H21N3O2/c1-2-22-16-9-4-3-8-15(16)20-17(21)10-12-18-13-14-7-5-6-11-19-14/h3-9,11,18H,2,10,12-13H2,1H3,(H,20,21)
InChIKeyKKMOMHRTYVICCR-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.60
Rot. Bonds8

About N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide

N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide (PubChem CID 109023401) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
PubChem CID109023401
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
SMILESCCOc1ccccc1NC(=O)CCNCc1ccccn1
InChIInChI=1S/C17H21N3O2/c1-2-22-16-9-4-3-8-15(16)20-17(21)10-12-18-13-14-7-5-6-11-19-14/h3-9,11,18H,2,10,12-13H2,1H3,(H,20,21)
InChIKeyKKMOMHRTYVICCR-UHFFFAOYSA-N
XLogP2.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.60
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-phenoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023444
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109023409
N-(2,6-diethylphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023379
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023421
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-(2-ethoxyphenyl)octanamide
CID 4158866
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212895

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide (CID 109023401) is N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide is CCOc1ccccc1NC(=O)CCNCc1ccccn1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
The InChIKey is KKMOMHRTYVICCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-22-16-9-4-3-8-15(16)20-17(21)10-12-18-13-14-7-5-6-11-19-14/h3-9,11,18H,2,10,12-13H2,1H3,(H,20,21).
What are the key properties of N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide?
N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide is sourced from PubChem (CID 109023401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).