(3-methoxyphenyl)methyl N-propan-2-ylcarbamate

C12H17NO3 — CID 23548690

IUPAC(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
SMILESCOc1cccc(COC(=O)NC(C)C)c1
InChIInChI=1S/C12H17NO3/c1-9(2)13-12(14)16-8-10-5-4-6-11(7-10)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyGBRQTVPPSSVMAS-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.33
Rot. Bonds4

About (3-methoxyphenyl)methyl N-propan-2-ylcarbamate

(3-methoxyphenyl)methyl N-propan-2-ylcarbamate (PubChem CID 23548690) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
PubChem CID23548690
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
SMILESCOc1cccc(COC(=O)NC(C)C)c1
InChIInChI=1S/C12H17NO3/c1-9(2)13-12(14)16-8-10-5-4-6-11(7-10)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyGBRQTVPPSSVMAS-UHFFFAOYSA-N
XLogP2.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-cyclohexyl-2-[(3-methoxyphenyl)methoxycarbonylamino]propanoic acid
CID 23383098
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
(3-methoxyphenyl)methyl N-(4-aminophenyl)carbamate
CID 43469136
(3-methoxyphenyl)methyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309306
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
[3-[(2-methoxy-7-methylacridin-9-yl)amino]phenyl]methyl N-propan-2-ylcarbamate
CID 19749301
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
3-[(3-methoxyphenyl)methoxy]butanoic acid
CID 43536105
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl N-propan-2-ylcarbamate?
The IUPAC name of (3-methoxyphenyl)methyl N-propan-2-ylcarbamate (CID 23548690) is (3-methoxyphenyl)methyl N-propan-2-ylcarbamate.
What is the SMILES notation for (3-methoxyphenyl)methyl N-propan-2-ylcarbamate?
The canonical SMILES for (3-methoxyphenyl)methyl N-propan-2-ylcarbamate is COc1cccc(COC(=O)NC(C)C)c1.
What is the InChIKey of (3-methoxyphenyl)methyl N-propan-2-ylcarbamate?
The InChIKey is GBRQTVPPSSVMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(2)13-12(14)16-8-10-5-4-6-11(7-10)15-3/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of (3-methoxyphenyl)methyl N-propan-2-ylcarbamate?
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate has a molecular weight of 223.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 23548690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).