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

C19H23NO2 — CID 15422014

IUPACbenzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate
SMILESCC(C)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(2)18(13-16-9-5-3-6-10-16)20-19(21)22-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyPBQLGBVKZARHKN-SFHVURJKSA-N
MW297.40 g/mol
LogP4.18
Rot. Bonds6

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

benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate (PubChem CID 15422014) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate
PubChem CID15422014
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Namebenzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate
SMILESCC(C)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(2)18(13-16-9-5-3-6-10-16)20-19(21)22-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyPBQLGBVKZARHKN-SFHVURJKSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate (CID 15422014) is benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate is CC(C)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate?
The InChIKey is PBQLGBVKZARHKN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(2)18(13-16-9-5-3-6-10-16)20-19(21)22-14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,20,21)/t18-/m0/s1.
What are the key properties of benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate?
benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate has a molecular weight of 297.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-3-methyl-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 15422014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).