N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide

C21H26N2O3 — CID 17187605

IUPACN-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccccc2OCC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-4-8-20(24)22-16-9-7-10-17(13-16)23-21(25)18-11-5-6-12-19(18)26-14-15(2)3/h5-7,9-13,15H,4,8,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHFYSGMJEPASDLD-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.71
Rot. Bonds8

About N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide

N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 17187605) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
PubChem CID17187605
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccccc2OCC(C)C)c1
InChIInChI=1S/C21H26N2O3/c1-4-8-20(24)22-16-9-7-10-17(13-16)23-21(25)18-11-5-6-12-19(18)26-14-15(2)3/h5-7,9-13,15H,4,8,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyHFYSGMJEPASDLD-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

2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235611
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
N-[[3-(hexanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 26161907
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
CID 50985810
2-(2-methylpropoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233576
2-hexoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079617
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide (CID 17187605) is N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide is CCCC(=O)Nc1cccc(NC(=O)c2ccccc2OCC(C)C)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is HFYSGMJEPASDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-8-20(24)22-16-9-7-10-17(13-16)23-21(25)18-11-5-6-12-19(18)26-14-15(2)3/h5-7,9-13,15H,4,8,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide?
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)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 N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17187605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).