N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide

C21H26N2O2 — CID 4003152

IUPACN-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-5-7-19(24)22-17-8-6-9-18(14-17)23-20(25)15-10-12-16(13-11-15)21(2,3)4/h6,8-14H,5,7H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyLUBQQKJGBQHVQG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.97
Rot. Bonds5

About N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide

N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide (PubChem CID 4003152) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
PubChem CID4003152
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-5-7-19(24)22-17-8-6-9-18(14-17)23-20(25)15-10-12-16(13-11-15)21(2,3)4/h6,8-14H,5,7H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyLUBQQKJGBQHVQG-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide
CID 17187670
4-tert-butyl-N-[3-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]phenyl]benzamide
CID 99956067

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide (CID 4003152) is N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide is CCCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide?
The InChIKey is LUBQQKJGBQHVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-7-19(24)22-17-8-6-9-18(14-17)23-20(25)15-10-12-16(13-11-15)21(2,3)4/h6,8-14H,5,7H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide?
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide is sourced from PubChem (CID 4003152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).