2-propoxy-N-propylbenzamide

C13H19NO2 — CID 58831728

IUPAC2-propoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1OCCC
InChIInChI=1S/C13H19NO2/c1-3-9-14-13(15)11-7-5-6-8-12(11)16-10-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyBMWAABRBTKIPAR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.62
Rot. Bonds6

About 2-propoxy-N-propylbenzamide

2-propoxy-N-propylbenzamide (PubChem CID 58831728) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-propoxy-N-propylbenzamide.

Molecular Properties

Compound Name2-propoxy-N-propylbenzamide
PubChem CID58831728
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-propoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1OCCC
InChIInChI=1S/C13H19NO2/c1-3-9-14-13(15)11-7-5-6-8-12(11)16-10-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyBMWAABRBTKIPAR-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
N-(2,2-dimethoxyethyl)-2-propoxybenzamide
CID 71581289
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 4947937
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-butan-2-yl-2-propoxybenzamide
CID 71581291
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-propylbenzamide?
The IUPAC name of 2-propoxy-N-propylbenzamide (CID 58831728) is 2-propoxy-N-propylbenzamide.
What is the SMILES notation for 2-propoxy-N-propylbenzamide?
The canonical SMILES for 2-propoxy-N-propylbenzamide is CCCNC(=O)c1ccccc1OCCC.
What is the InChIKey of 2-propoxy-N-propylbenzamide?
The InChIKey is BMWAABRBTKIPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9-14-13(15)11-7-5-6-8-12(11)16-10-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15).
What are the key properties of 2-propoxy-N-propylbenzamide?
2-propoxy-N-propylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-propylbenzamide is sourced from PubChem (CID 58831728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).