benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate

C20H24N2O3 — CID 2363706

IUPACbenzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(2)18(19(23)21-13-16-9-5-3-6-10-16)22-20(24)25-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyLIIPFWIZLJOOAS-SFHVURJKSA-N
MW340.42 g/mol
LogP3.25
Rot. Bonds7

About benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate

benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 2363706) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID2363706
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namebenzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(2)18(19(23)21-13-16-9-5-3-6-10-16)22-20(24)25-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyLIIPFWIZLJOOAS-SFHVURJKSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate (CID 2363706) is benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is LIIPFWIZLJOOAS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)18(19(23)21-13-16-9-5-3-6-10-16)22-20(24)25-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 2363706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).