(3-methylphenyl) N-(3-ethoxyphenyl)carbamate

C16H17NO3 — CID 56690131

IUPAC(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
SMILESCCOc1cccc(NC(=O)Oc2cccc(C)c2)c1
InChIInChI=1S/C16H17NO3/c1-3-19-14-8-5-7-13(11-14)17-16(18)20-15-9-4-6-12(2)10-15/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyJPSUREMEWDUDCY-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.00
Rot. Bonds4

About (3-methylphenyl) N-(3-ethoxyphenyl)carbamate

(3-methylphenyl) N-(3-ethoxyphenyl)carbamate (PubChem CID 56690131) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3-methylphenyl) N-(3-ethoxyphenyl)carbamate.

Molecular Properties

Compound Name(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
PubChem CID56690131
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
SMILESCCOc1cccc(NC(=O)Oc2cccc(C)c2)c1
InChIInChI=1S/C16H17NO3/c1-3-19-14-8-5-7-13(11-14)17-16(18)20-15-9-4-6-12(2)10-15/h4-11H,3H2,1-2H3,(H,17,18)
InChIKeyJPSUREMEWDUDCY-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
ethyl (E)-4-(3-ethoxyanilino)-4-oxobut-2-enoate
CID 17098084
[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
CID 4246326
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
(3-acetamidophenyl) 3-ethoxybenzoate
CID 780025
N-(3-ethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100526929
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) N-(3-ethoxyphenyl)carbamate?
The IUPAC name of (3-methylphenyl) N-(3-ethoxyphenyl)carbamate (CID 56690131) is (3-methylphenyl) N-(3-ethoxyphenyl)carbamate.
What is the SMILES notation for (3-methylphenyl) N-(3-ethoxyphenyl)carbamate?
The canonical SMILES for (3-methylphenyl) N-(3-ethoxyphenyl)carbamate is CCOc1cccc(NC(=O)Oc2cccc(C)c2)c1.
What is the InChIKey of (3-methylphenyl) N-(3-ethoxyphenyl)carbamate?
The InChIKey is JPSUREMEWDUDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-19-14-8-5-7-13(11-14)17-16(18)20-15-9-4-6-12(2)10-15/h4-11H,3H2,1-2H3,(H,17,18).
What are the key properties of (3-methylphenyl) N-(3-ethoxyphenyl)carbamate?
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate has a molecular weight of 271.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) N-(3-ethoxyphenyl)carbamate is sourced from PubChem (CID 56690131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).