tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate

C21H25N3O4 — CID 108917372

IUPACtert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate
SMILESCc1cccc(C(=O)Nc2ccccc2NC(=O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H25N3O4/c1-14-8-7-9-15(12-14)19(26)24-17-11-6-5-10-16(17)23-18(25)13-22-20(27)28-21(2,3)4/h5-12H,13H2,1-4H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyMFSQCHLLASBYOF-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.71
Rot. Bonds5

About tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate (PubChem CID 108917372) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate
PubChem CID108917372
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nametert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate
SMILESCc1cccc(C(=O)Nc2ccccc2NC(=O)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H25N3O4/c1-14-8-7-9-15(12-14)19(26)24-17-11-6-5-10-16(17)23-18(25)13-22-20(27)28-21(2,3)4/h5-12H,13H2,1-4H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyMFSQCHLLASBYOF-UHFFFAOYSA-N
XLogP3.71
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[2-[(3-bromobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917313
tert-butyl N-[2-[3-[(3-methylbenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918762
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917328
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
tert-butyl N-[2-[2-[[(E)-but-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917462
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
tert-butyl N-[2-[3-[(3-chlorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917112
tert-butyl N-[2-oxo-2-[2-[(2,3,4-trifluorobenzoyl)amino]anilino]ethyl]carbamate
CID 108917393
tert-butyl N-[2-[2-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917369
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate (CID 108917372) is tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate is Cc1cccc(C(=O)Nc2ccccc2NC(=O)CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate?
The InChIKey is MFSQCHLLASBYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-8-7-9-15(12-14)19(26)24-17-11-6-5-10-16(17)23-18(25)13-22-20(27)28-21(2,3)4/h5-12H,13H2,1-4H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate has a molecular weight of 383.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108917372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).