N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide

C20H23N3O3 — CID 70307077

IUPACN-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-13(24)21-16-9-11-17(12-10-16)22-19(26)23-18(25)14-5-7-15(8-6-14)20(2,3)4/h5-12H,1-4H3,(H,21,24)(H2,22,23,25,26)
InChIKeyIOXFNKFDLPDZKS-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.90
Rot. Bonds3

About N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide

N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide (PubChem CID 70307077) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide
PubChem CID70307077
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide
SMILESCC(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-13(24)21-16-9-11-17(12-10-16)22-19(26)23-18(25)14-5-7-15(8-6-14)20(2,3)4/h5-12H,1-4H3,(H,21,24)(H2,22,23,25,26)
InChIKeyIOXFNKFDLPDZKS-UHFFFAOYSA-N
XLogP3.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamoyl]-4-methylbenzamide
CID 163690008
N-[(5-acetamidocyclohepta-1,4,6-trien-1-yl)carbamoyl]-4-tert-butylbenzamide
CID 143638966
N-[4-(acetylcarbamothioylamino)phenyl]-4-tert-butylbenzamide
CID 979162
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide
CID 163839417
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
CID 840661
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
CID 108884186
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-[4-(benzoylcarbamothioylamino)phenyl]-4-tert-butylbenzamide
CID 1348500

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide?
The IUPAC name of N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide (CID 70307077) is N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide is CC(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide?
The InChIKey is IOXFNKFDLPDZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(24)21-16-9-11-17(12-10-16)22-19(26)23-18(25)14-5-7-15(8-6-14)20(2,3)4/h5-12H,1-4H3,(H,21,24)(H2,22,23,25,26).
What are the key properties of N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide?
N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide is sourced from PubChem (CID 70307077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).