phenyl N-(4-methyl-2-propoxyphenyl)carbamate

C17H19NO3 — CID 61216988

IUPACphenyl N-(4-methyl-2-propoxyphenyl)carbamate
SMILESCCCOc1cc(C)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C17H19NO3/c1-3-11-20-16-12-13(2)9-10-15(16)18-17(19)21-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,18,19)
InChIKeyZHBODSRRLVPIHP-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.39
Rot. Bonds5

About phenyl N-(4-methyl-2-propoxyphenyl)carbamate

phenyl N-(4-methyl-2-propoxyphenyl)carbamate (PubChem CID 61216988) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is phenyl N-(4-methyl-2-propoxyphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-methyl-2-propoxyphenyl)carbamate
PubChem CID61216988
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namephenyl N-(4-methyl-2-propoxyphenyl)carbamate
SMILESCCCOc1cc(C)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C17H19NO3/c1-3-11-20-16-12-13(2)9-10-15(16)18-17(19)21-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,18,19)
InChIKeyZHBODSRRLVPIHP-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
phenyl N-(2-bromo-4-methylphenyl)carbamate
CID 3453949
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide
CID 62233815
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
phenyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 43369849
2-[(4-methyl-2-propoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60934556
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methyl-2-propoxyphenyl)carbamate?
The IUPAC name of phenyl N-(4-methyl-2-propoxyphenyl)carbamate (CID 61216988) is phenyl N-(4-methyl-2-propoxyphenyl)carbamate.
What is the SMILES notation for phenyl N-(4-methyl-2-propoxyphenyl)carbamate?
The canonical SMILES for phenyl N-(4-methyl-2-propoxyphenyl)carbamate is CCCOc1cc(C)ccc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-methyl-2-propoxyphenyl)carbamate?
The InChIKey is ZHBODSRRLVPIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-11-20-16-12-13(2)9-10-15(16)18-17(19)21-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,18,19).
What are the key properties of phenyl N-(4-methyl-2-propoxyphenyl)carbamate?
phenyl N-(4-methyl-2-propoxyphenyl)carbamate has a molecular weight of 285.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methyl-2-propoxyphenyl)carbamate is sourced from PubChem (CID 61216988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).