(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate

C13H18N2O3 — CID 143234813

IUPAC(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate
SMILESCc1ccc(OC(=O)NC(C)(C)C)c(C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-8-5-6-10(9(7-8)11(14)16)18-12(17)15-13(2,3)4/h5-7H,1-4H3,(H2,14,16)(H,15,17)
InChIKeyNAGJLLDVRUVYJT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.98
Rot. Bonds2

About (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate

(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate (PubChem CID 143234813) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate
PubChem CID143234813
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate
SMILESCc1ccc(OC(=O)NC(C)(C)C)c(C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-8-5-6-10(9(7-8)11(14)16)18-12(17)15-13(2,3)4/h5-7H,1-4H3,(H2,14,16)(H,15,17)
InChIKeyNAGJLLDVRUVYJT-UHFFFAOYSA-N
XLogP1.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide
CID 62504212
2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
CID 43388654
(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
CID 174570423
[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate
CID 141158237
[2-nitro-4-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174495859
5-amino-2-(2-chloro-4-methylphenoxy)benzamide
CID 62671488
(5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate
CID 174637088
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
2-acetyl-4-methylbenzamide
CID 163253724
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
[2-amino-4-methyl-5-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174510277
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate?
The IUPAC name of (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate (CID 143234813) is (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate.
What is the SMILES notation for (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate?
The canonical SMILES for (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate is Cc1ccc(OC(=O)NC(C)(C)C)c(C(N)=O)c1.
What is the InChIKey of (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate?
The InChIKey is NAGJLLDVRUVYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-5-6-10(9(7-8)11(14)16)18-12(17)15-13(2,3)4/h5-7H,1-4H3,(H2,14,16)(H,15,17).
What are the key properties of (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate?
(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate has a molecular weight of 250.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate is sourced from PubChem (CID 143234813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).