ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate

C12H17NO2 — CID 60755647

IUPACethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
SMILESCCOC(=O)N(C)Cc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)13(3)9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3
InChIKeyQYVCADOMHVKJRU-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.58
Rot. Bonds3

About ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate

ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate (PubChem CID 60755647) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
PubChem CID60755647
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
SMILESCCOC(=O)N(C)Cc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)13(3)9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3
InChIKeyQYVCADOMHVKJRU-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
methyl 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
2-amino-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115181119
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189
1-methyl-1-[(3-methylphenyl)methyl]guanidine
CID 44827695
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689
2-bromo-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 62855223

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate (CID 60755647) is ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate is CCOC(=O)N(C)Cc1cccc(C)c1.
What is the InChIKey of ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate?
The InChIKey is QYVCADOMHVKJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-15-12(14)13(3)9-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate?
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate has a molecular weight of 207.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate is sourced from PubChem (CID 60755647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).