3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide

C22H28N2O3 — CID 17218835

IUPAC3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C22H28N2O3/c1-4-13-23-21(25)17-8-10-19(11-9-17)24-22(26)18-6-5-7-20(15-18)27-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGVOIFLOPXMNRKY-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.50
Rot. Bonds9

About 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide

3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide (PubChem CID 17218835) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
PubChem CID17218835
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C22H28N2O3/c1-4-13-23-21(25)17-8-10-19(11-9-17)24-22(26)18-6-5-7-20(15-18)27-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGVOIFLOPXMNRKY-UHFFFAOYSA-N
XLogP4.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]-N-propylbenzamide
CID 17223082
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
N-[4-(3-methoxypropylcarbamoyl)phenyl]-3-propoxybenzamide
CID 17205121
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838866
3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55892925
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide (CID 17218835) is 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1.
What is the InChIKey of 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is GVOIFLOPXMNRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-13-23-21(25)17-8-10-19(11-9-17)24-22(26)18-6-5-7-20(15-18)27-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide?
3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17218835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).