2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide

C21H26N2O3 — CID 17204895

IUPAC2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-4-20(24)22-16-9-11-17(12-10-16)23-21(25)18-7-5-6-8-19(18)26-14-13-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPTBYDXUCTIEPQY-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.71
Rot. Bonds8

About 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide

2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide (PubChem CID 17204895) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
PubChem CID17204895
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-4-20(24)22-16-9-11-17(12-10-16)23-21(25)18-7-5-6-8-19(18)26-14-13-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPTBYDXUCTIEPQY-UHFFFAOYSA-N
XLogP4.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4943982
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
CID 17235412
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
2-(3-methylbutoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067004
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
4-tert-butyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944053
N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943608
2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 9018570
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide?
The IUPAC name of 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide (CID 17204895) is 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide is CCC(=O)Nc1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1.
What is the InChIKey of 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide?
The InChIKey is PTBYDXUCTIEPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-20(24)22-16-9-11-17(12-10-16)23-21(25)18-7-5-6-8-19(18)26-14-13-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide?
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 17204895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).