benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate

C19H22N2O3 — CID 102063559

IUPACbenzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate
SMILESC[C@H](CC(=O)NCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-15(12-18(22)20-13-16-8-4-2-5-9-16)21-19(23)24-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyOWTAPUZJWQQILJ-OAHLLOKOSA-N
MW326.40 g/mol
LogP3.01
Rot. Bonds7

About benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate

benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate (PubChem CID 102063559) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate
PubChem CID102063559
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate
SMILESC[C@H](CC(=O)NCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-15(12-18(22)20-13-16-8-4-2-5-9-16)21-19(23)24-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKeyOWTAPUZJWQQILJ-OAHLLOKOSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate (CID 102063559) is benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate is C[C@H](CC(=O)NCc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate?
The InChIKey is OWTAPUZJWQQILJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15(12-18(22)20-13-16-8-4-2-5-9-16)21-19(23)24-14-17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,20,22)(H,21,23)/t15-/m1/s1.
What are the key properties of benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate?
benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate is sourced from PubChem (CID 102063559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).