tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate

C21H25N3O4 — CID 170985606

IUPACtert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H25N3O4/c1-13-6-11-17(18(12-13)24-20(27)28-21(3,4)5)23-19(26)15-7-9-16(10-8-15)22-14(2)25/h6-12H,1-5H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyHPAXLCKYHBJNGX-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.55
Rot. Bonds4

About tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate

tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate (PubChem CID 170985606) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate
PubChem CID170985606
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nametert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H25N3O4/c1-13-6-11-17(18(12-13)24-20(27)28-21(3,4)5)23-19(26)15-7-9-16(10-8-15)22-14(2)25/h6-12H,1-5H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyHPAXLCKYHBJNGX-UHFFFAOYSA-N
XLogP4.55
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamate
CID 67291019
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate
CID 170985605
4-acetamidobenzoic acid;tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-fluorophenyl]carbamate;tert-butyl N-(2-amino-5-fluorophenyl)carbamate
CID 162113875
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
CID 7667817
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575123

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate (CID 170985606) is tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate is CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate?
The InChIKey is HPAXLCKYHBJNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-13-6-11-17(18(12-13)24-20(27)28-21(3,4)5)23-19(26)15-7-9-16(10-8-15)22-14(2)25/h6-12H,1-5H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate?
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate is sourced from PubChem (CID 170985606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).