N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide

C22H27N3O3 — CID 4925295

IUPACN-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-14(2)19(26)23-18-12-8-16(9-13-18)21(28)25-24-20(27)15-6-10-17(11-7-15)22(3,4)5/h6-14H,1-5H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyUYRMKKRKZCBOKW-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.65
Rot. Bonds4

About N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide

N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide (PubChem CID 4925295) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
PubChem CID4925295
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-14(2)19(26)23-18-12-8-16(9-13-18)21(28)25-24-20(27)15-6-10-17(11-7-15)22(3,4)5/h6-14H,1-5H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyUYRMKKRKZCBOKW-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
4-tert-butyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1017523
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4940345
2-methyl-N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]propanamide
CID 1263273
N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide
CID 163343246
2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide
CID 26163659
methyl 3-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamoyl]benzoate
CID 17175464
4-tert-butyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamoyl]benzamide
CID 163839417
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide (CID 4925295) is N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide?
The InChIKey is UYRMKKRKZCBOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14(2)19(26)23-18-12-8-16(9-13-18)21(28)25-24-20(27)15-6-10-17(11-7-15)22(3,4)5/h6-14H,1-5H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide?
N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide has a molecular weight of 381.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 4925295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).