(4-methoxyphenyl)-methylcarbamic acid

C9H11NO3 — CID 22047987

IUPAC(4-methoxyphenyl)-methylcarbamic acid
SMILESCOc1ccc(N(C)C(=O)O)cc1
InChIInChI=1S/C9H11NO3/c1-10(9(11)12)7-3-5-8(13-2)6-4-7/h3-6H,1-2H3,(H,11,12)
InChIKeyFYANEYZKFPOIAA-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.81
Rot. Bonds2

About (4-methoxyphenyl)-methylcarbamic acid

(4-methoxyphenyl)-methylcarbamic acid (PubChem CID 22047987) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (4-methoxyphenyl)-methylcarbamic acid.

Molecular Properties

Compound Name(4-methoxyphenyl)-methylcarbamic acid
PubChem CID22047987
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(4-methoxyphenyl)-methylcarbamic acid
SMILESCOc1ccc(N(C)C(=O)O)cc1
InChIInChI=1S/C9H11NO3/c1-10(9(11)12)7-3-5-8(13-2)6-4-7/h3-6H,1-2H3,(H,11,12)
InChIKeyFYANEYZKFPOIAA-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 63644464
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
amino-(4-methoxyphenyl)carbamic acid
CID 66864834
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689
2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
2-(4-methoxy-N-methylanilino)prop-2-enamide
CID 175949684
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62002877
4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 102127116
1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183985
N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605370

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-methylcarbamic acid?
The IUPAC name of (4-methoxyphenyl)-methylcarbamic acid (CID 22047987) is (4-methoxyphenyl)-methylcarbamic acid.
What is the SMILES notation for (4-methoxyphenyl)-methylcarbamic acid?
The canonical SMILES for (4-methoxyphenyl)-methylcarbamic acid is COc1ccc(N(C)C(=O)O)cc1.
What is the InChIKey of (4-methoxyphenyl)-methylcarbamic acid?
The InChIKey is FYANEYZKFPOIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10(9(11)12)7-3-5-8(13-2)6-4-7/h3-6H,1-2H3,(H,11,12).
What are the key properties of (4-methoxyphenyl)-methylcarbamic acid?
(4-methoxyphenyl)-methylcarbamic acid has a molecular weight of 181.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-methylcarbamic acid is sourced from PubChem (CID 22047987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).