N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C17H20N2O — CID 6466387

IUPACN-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCN(CC1=CC=NC=C1)C(=O)CCC2=CC=CC=C2
InChIInChI=1S/C17H20N2O/c1-2-19(14-16-10-12-18-13-11-16)17(20)9-8-15-6-4-3-5-7-15/h3-7,10-13H,2,8-9,14H2,1H3
InChIKeyKQOWKQPNPRCWEP-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.40
Rot. Bonds6

About N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 6466387) has the molecular formula C17H20N2O and a molecular weight of 268.35 g/mol. Its IUPAC name is N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID6466387
Molecular FormulaC17H20N2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC NameN-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCN(CC1=CC=NC=C1)C(=O)CCC2=CC=CC=C2
InChIInChI=1S/C17H20N2O/c1-2-19(14-16-10-12-18-13-11-16)17(20)9-8-15-6-4-3-5-7-15/h3-7,10-13H,2,8-9,14H2,1H3
InChIKeyKQOWKQPNPRCWEP-UHFFFAOYSA-N
XLogP2.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity281

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 6466387) is N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is CCN(CC1=CC=NC=C1)C(=O)CCC2=CC=CC=C2.
What is the InChIKey of N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is KQOWKQPNPRCWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-19(14-16-10-12-18-13-11-16)17(20)9-8-15-6-4-3-5-7-15/h3-7,10-13H,2,8-9,14H2,1H3.
What are the key properties of N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 268.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 6466387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).