XEZGYKHWNSVGGH-UHFFFAOYSA-N

Name: XEZGYKHWNSVGGH-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₃₁NO — CID 91693865

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide

SMILESCCCCC(CC)CN(CC)C(=O)CCc1ccccc1

InChIInChI=1S/C19H31NO/c1-4-7-11-17(5-2)16-20(6-3)19(21)15-14-18-12-9-8-10-13-18/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3

InChIKeyXEZGYKHWNSVGGH-UHFFFAOYSA-N

MW289.46 g/mol

LogP4.68

Rot. Bonds10

About XEZGYKHWNSVGGH-UHFFFAOYSA-N

XEZGYKHWNSVGGH-UHFFFAOYSA-N (PubChem CID 91693865) has the molecular formula C₁₉H₃₁NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name	XEZGYKHWNSVGGH-UHFFFAOYSA-N
PubChem CID	91693865
Molecular Formula	C₁₉H₃₁NO
Molecular Weight	289.46 g/mol
Exact Mass	289.24
IUPAC Name	N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
SMILES	CCCCC(CC)CN(CC)C(=O)CCc1ccccc1
InChI	InChI=1S/C19H31NO/c1-4-7-11-17(5-2)16-20(6-3)19(21)15-14-18-12-9-8-10-13-18/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3
InChIKey	XEZGYKHWNSVGGH-UHFFFAOYSA-N
XLogP	4.68
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	10
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.46
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of XEZGYKHWNSVGGH-UHFFFAOYSA-N?

The IUPAC name of XEZGYKHWNSVGGH-UHFFFAOYSA-N (CID 91693865) is N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide.

What is the SMILES notation for XEZGYKHWNSVGGH-UHFFFAOYSA-N?

The canonical SMILES for XEZGYKHWNSVGGH-UHFFFAOYSA-N is CCCCC(CC)CN(CC)C(=O)CCc1ccccc1.

What is the InChIKey of XEZGYKHWNSVGGH-UHFFFAOYSA-N?

The InChIKey is XEZGYKHWNSVGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-7-11-17(5-2)16-20(6-3)19(21)15-14-18-12-9-8-10-13-18/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3.

What are the key properties of XEZGYKHWNSVGGH-UHFFFAOYSA-N?

XEZGYKHWNSVGGH-UHFFFAOYSA-N has a molecular weight of 289.46 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for XEZGYKHWNSVGGH-UHFFFAOYSA-N is sourced from PubChem (CID 91693865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 91693865 — identifiers, structure, computed properties (public domain)

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