N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide

C14H19N5O — CID 43601378

IUPACN-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide
SMILESCCNCc1ccccc1NC(=O)CCn1ccnn1
InChIInChI=1S/C14H19N5O/c1-2-15-11-12-5-3-4-6-13(12)17-14(20)7-9-19-10-8-16-18-19/h3-6,8,10,15H,2,7,9,11H2,1H3,(H,17,20)
InChIKeyVERKOFVDGNJHHB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.42
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide

N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide (PubChem CID 43601378) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide
PubChem CID43601378
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide
SMILESCCNCc1ccccc1NC(=O)CCn1ccnn1
InChIInChI=1S/C14H19N5O/c1-2-15-11-12-5-3-4-6-13(12)17-14(20)7-9-19-10-8-16-18-19/h3-6,8,10,15H,2,7,9,11H2,1H3,(H,17,20)
InChIKeyVERKOFVDGNJHHB-UHFFFAOYSA-N
XLogP1.42
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide (CID 43601378) is N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide is CCNCc1ccccc1NC(=O)CCn1ccnn1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide?
The InChIKey is VERKOFVDGNJHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-15-11-12-5-3-4-6-13(12)17-14(20)7-9-19-10-8-16-18-19/h3-6,8,10,15H,2,7,9,11H2,1H3,(H,17,20).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide?
N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43601378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).