benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate

C15H21NO3 — CID 10378073

IUPACbenzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](C=O)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-12(2)14(10-17)16(3)15(18)19-11-13-8-6-5-7-9-13/h5-10,12,14H,4,11H2,1-3H3/t12-,14+/m0/s1
InChIKeyZSMILCLRTJGXMI-GXTWGEPZSA-N
MW263.34 g/mol
LogP2.87
Rot. Bonds6

About benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate

benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 10378073) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID10378073
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](C=O)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-4-12(2)14(10-17)16(3)15(18)19-11-13-8-6-5-7-9-13/h5-10,12,14H,4,11H2,1-3H3/t12-,14+/m0/s1
InChIKeyZSMILCLRTJGXMI-GXTWGEPZSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate (CID 10378073) is benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate is CC[C@H](C)[C@@H](C=O)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is ZSMILCLRTJGXMI-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-12(2)14(10-17)16(3)15(18)19-11-13-8-6-5-7-9-13/h5-10,12,14H,4,11H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 10378073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).