4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide

C22H27N3O3 — CID 163839417

IUPAC4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-14(2)19(26)23-17-7-6-8-18(13-17)24-21(28)25-20(27)15-9-11-16(12-10-15)22(3,4)5/h6-14H,1-5H3,(H,23,26)(H2,24,25,27,28)
InChIKeyOKPYPEDZXNQXED-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.54
Rot. Bonds4

About 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide

4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide (PubChem CID 163839417) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide
PubChem CID163839417
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-14(2)19(26)23-17-7-6-8-18(13-17)24-21(28)25-20(27)15-9-11-16(12-10-15)22(3,4)5/h6-14H,1-5H3,(H,23,26)(H2,24,25,27,28)
InChIKeyOKPYPEDZXNQXED-UHFFFAOYSA-N
XLogP4.54
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
CID 78894521
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925295
4-tert-butyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1017523
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[(4-acetamidophenyl)carbamoyl]-4-tert-butylbenzamide
CID 70307077
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
3-[(4-carboxybenzoyl)carbamoylamino]benzoic acid
CID 139741227
4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 33024025
N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
CID 108884186
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
4-tert-butyl-N-[3-[(4-iodobenzoyl)carbamothioylamino]phenyl]benzamide
CID 21169967

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide (CID 163839417) is 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide is CC(C)C(=O)Nc1cccc(NC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide?
The InChIKey is OKPYPEDZXNQXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14(2)19(26)23-17-7-6-8-18(13-17)24-21(28)25-20(27)15-9-11-16(12-10-15)22(3,4)5/h6-14H,1-5H3,(H,23,26)(H2,24,25,27,28).
What are the key properties of 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide?
4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 163839417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).