[2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid

C16H18N2O4 — CID 68662590

IUPAC[2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid
SMILESCOc1cc(C)cc(Oc2ccc(N)c(N(C)C(=O)O)c2)c1
InChIInChI=1S/C16H18N2O4/c1-10-6-12(21-3)8-13(7-10)22-11-4-5-14(17)15(9-11)18(2)16(19)20/h4-9H,17H2,1-3H3,(H,19,20)
InChIKeyASQJJUFUBKCVMT-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.49
Rot. Bonds4

About [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid

[2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid (PubChem CID 68662590) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid
PubChem CID68662590
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid
SMILESCOc1cc(C)cc(Oc2ccc(N)c(N(C)C(=O)O)c2)c1
InChIInChI=1S/C16H18N2O4/c1-10-6-12(21-3)8-13(7-10)22-11-4-5-14(17)15(9-11)18(2)16(19)20/h4-9H,17H2,1-3H3,(H,19,20)
InChIKeyASQJJUFUBKCVMT-UHFFFAOYSA-N
XLogP3.49
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid
CID 68661499
N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide
CID 141243287
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
methyl-[5-(3-methylphenoxy)-2-nitrophenyl]carbamic acid
CID 68661458
tert-butyl N-[2-amino-5-(3,5-ditert-butyl-4-hydroxyphenoxy)phenyl]-N-methylcarbamate
CID 18461460
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
[2-amino-5-[2-(3-amino-4-tert-butylphenyl)ethoxy]phenyl]-methylcarbamic acid
CID 148921406
tert-butyl N-[2-amino-5-(3-chlorophenoxy)phenyl]-N-methylcarbamate
CID 174595657
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid?
The IUPAC name of [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid (CID 68662590) is [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid.
What is the SMILES notation for [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid?
The canonical SMILES for [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid is COc1cc(C)cc(Oc2ccc(N)c(N(C)C(=O)O)c2)c1.
What is the InChIKey of [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid?
The InChIKey is ASQJJUFUBKCVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-6-12(21-3)8-13(7-10)22-11-4-5-14(17)15(9-11)18(2)16(19)20/h4-9H,17H2,1-3H3,(H,19,20).
What are the key properties of [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid?
[2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid has a molecular weight of 302.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid is sourced from PubChem (CID 68662590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).