methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate

C12H16N2O3 — CID 8900979

IUPACmethyl N-[2-[benzyl(methyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-14(8-10-6-4-3-5-7-10)9-11(15)13-12(16)17-2/h3-7H,8-9H2,1-2H3,(H,13,15,16)
InChIKeyPEFRSELLFZLRGO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.00
Rot. Bonds4

About methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate

methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate (PubChem CID 8900979) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[benzyl(methyl)amino]acetyl]carbamate
PubChem CID8900979
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl N-[2-[benzyl(methyl)amino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-14(8-10-6-4-3-5-7-10)9-11(15)13-12(16)17-2/h3-7H,8-9H2,1-2H3,(H,13,15,16)
InChIKeyPEFRSELLFZLRGO-UHFFFAOYSA-N
XLogP1.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197304
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
methyl (E)-2-[[benzyl(methyl)amino]methyl]but-2-enoate
CID 10799648
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
methyl N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]carbamate
CID 8803258
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide
CID 86861767

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate (CID 8900979) is methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate is COC(=O)NC(=O)CN(C)Cc1ccccc1.
What is the InChIKey of methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate?
The InChIKey is PEFRSELLFZLRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(8-10-6-4-3-5-7-10)9-11(15)13-12(16)17-2/h3-7H,8-9H2,1-2H3,(H,13,15,16).
What are the key properties of methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate?
methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate has a molecular weight of 236.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate is sourced from PubChem (CID 8900979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).