N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide

C21H25N3O3 — CID 33034304

IUPACN-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(2)14-20(26)24-18-10-8-17(9-11-18)23-19(25)12-13-22-21(27)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeySLWRROYBZQCKMK-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.43
Rot. Bonds8

About N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide

N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide (PubChem CID 33034304) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
PubChem CID33034304
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(2)14-20(26)24-18-10-8-17(9-11-18)23-19(25)12-13-22-21(27)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeySLWRROYBZQCKMK-UHFFFAOYSA-N
XLogP3.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26213288
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
3-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]propanoic acid
CID 108807616
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
N-[4-[[(2,2-diphenylacetyl)amino]carbamoyl]phenyl]-3-methylbutanamide
CID 5227742
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide (CID 33034304) is N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide is CC(C)CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide?
The InChIKey is SLWRROYBZQCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(2)14-20(26)24-18-10-8-17(9-11-18)23-19(25)12-13-22-21(27)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide?
N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 33034304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).