(4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate

C17H18N2O3 — CID 977123

IUPAC(4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate
SMILESCC(=O)Nc1ccc(OC(=O)N(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-4-8-15(9-5-12)19(3)17(21)22-16-10-6-14(7-11-16)18-13(2)20/h4-11H,1-3H3,(H,18,20)
InChIKeyTYPGRVIVUHGTMB-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.59
Rot. Bonds3

About (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate

(4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate (PubChem CID 977123) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name(4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate
PubChem CID977123
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate
SMILESCC(=O)Nc1ccc(OC(=O)N(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-4-8-15(9-5-12)19(3)17(21)22-16-10-6-14(7-11-16)18-13(2)20/h4-11H,1-3H3,(H,18,20)
InChIKeyTYPGRVIVUHGTMB-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)acetamide
CID 7684
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-[4-(4-methyl-N-(4-octoxyphenyl)anilino)phenyl]acetamide
CID 71261026
bis(4-acetamidophenyl) propanedioate
CID 58435595
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
(4-methylphenyl) 2-[(4-acetamidobenzoyl)amino]acetate
CID 110670540
ethyl N-methyl-N-[4-[(4-methylphenyl)methylcarbamoylamino]phenyl]carbamate
CID 60568186
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 2-(4-methylphenoxy)propanoate
CID 55383634
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566
(4-methylphenyl) methylsulfanylformate
CID 14404355
(4-methylphenyl) N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68615610

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate?
The IUPAC name of (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate (CID 977123) is (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate.
What is the SMILES notation for (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate?
The canonical SMILES for (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate is CC(=O)Nc1ccc(OC(=O)N(C)c2ccc(C)cc2)cc1.
What is the InChIKey of (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate?
The InChIKey is TYPGRVIVUHGTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-4-8-15(9-5-12)19(3)17(21)22-16-10-6-14(7-11-16)18-13(2)20/h4-11H,1-3H3,(H,18,20).
What are the key properties of (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate?
(4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate has a molecular weight of 298.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) N-methyl-N-(4-methylphenyl)carbamate is sourced from PubChem (CID 977123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).