propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate

C12H17NO3 — CID 116655313

IUPACpropan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)OC(C)C)c1
InChIInChI=1S/C12H17NO3/c1-9(2)16-12(14)13(3)10-6-5-7-11(8-10)15-4/h5-9H,1-4H3
InChIKeyXPKXRUQCDDCVKH-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.68
Rot. Bonds3

About propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate

propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate (PubChem CID 116655313) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
PubChem CID116655313
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namepropan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)OC(C)C)c1
InChIInChI=1S/C12H17NO3/c1-9(2)16-12(14)13(3)10-6-5-7-11(8-10)15-4/h5-9H,1-4H3
InChIKeyXPKXRUQCDDCVKH-UHFFFAOYSA-N
XLogP2.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
3-amino-N-(3-methoxyphenyl)-N,2,2,3-tetramethylbutanamide
CID 65267204
2-(azetidin-3-yl)-N-(3-methoxyphenyl)-N-methylpropanamide
CID 116677580
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 62002443
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105416
3-(3-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821580
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
1-(3-methoxyphenyl)-1-propan-2-ylurea
CID 3032131

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate?
The IUPAC name of propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate (CID 116655313) is propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate.
What is the SMILES notation for propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate?
The canonical SMILES for propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate is COc1cccc(N(C)C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate?
The InChIKey is XPKXRUQCDDCVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(2)16-12(14)13(3)10-6-5-7-11(8-10)15-4/h5-9H,1-4H3.
What are the key properties of propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate?
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate has a molecular weight of 223.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate is sourced from PubChem (CID 116655313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).