N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide

C22H26N2O4 — CID 17202343

IUPACN-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H26N2O4/c1-2-12-28-20-11-4-3-10-19(20)22(26)24-17-8-5-7-16(14-17)21(25)23-15-18-9-6-13-27-18/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyGPLKXBJXEPPDFC-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.64
Rot. Bonds8

About N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide

N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide (PubChem CID 17202343) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide
PubChem CID17202343
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C22H26N2O4/c1-2-12-28-20-11-4-3-10-19(20)22(26)24-17-8-5-7-16(14-17)21(25)23-15-18-9-6-13-27-18/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyGPLKXBJXEPPDFC-UHFFFAOYSA-N
XLogP3.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
CID 17141891
2-(2-ethoxyethoxy)-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17202708
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2-pentoxybenzoyl)amino]benzamide
CID 9232358
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-propoxybenzamide
CID 17161199
N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
N-(3-acetylphenyl)-2-propoxybenzamide
CID 4947871
N-[3-(benzylcarbamoyl)phenyl]-2-propoxybenzamide
CID 28638895
N-(oxolan-2-ylmethyl)-2-[(2-propoxybenzoyl)carbamothioylamino]benzamide
CID 4948794
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
2-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 42427479
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide?
The IUPAC name of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide (CID 17202343) is N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide?
The InChIKey is GPLKXBJXEPPDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-12-28-20-11-4-3-10-19(20)22(26)24-17-8-5-7-16(14-17)21(25)23-15-18-9-6-13-27-18/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide?
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 17202343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).