benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate

C22H28N2O3 — CID 10361691

IUPACbenzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
SMILESCC[C@](Cc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)NC(C)C
InChIInChI=1S/C22H28N2O3/c1-4-22(20(25)23-17(2)3,15-18-11-7-5-8-12-18)24-21(26)27-16-19-13-9-6-10-14-19/h5-14,17H,4,15-16H2,1-3H3,(H,23,25)(H,24,26)/t22-/m1/s1
InChIKeySLBMFRMPVYPVII-JOCHJYFZSA-N
MW368.48 g/mol
LogP3.83
Rot. Bonds8

About benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate

benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate (PubChem CID 10361691) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
PubChem CID10361691
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namebenzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
SMILESCC[C@](Cc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)NC(C)C
InChIInChI=1S/C22H28N2O3/c1-4-22(20(25)23-17(2)3,15-18-11-7-5-8-12-18)24-21(26)27-16-19-13-9-6-10-14-19/h5-14,17H,4,15-16H2,1-3H3,(H,23,25)(H,24,26)/t22-/m1/s1
InChIKeySLBMFRMPVYPVII-JOCHJYFZSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate with MolForge

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Related Compounds

(3S)-4-[2-amino-3-[(2S)-2-benzyl-3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]oxy-3-oxopropanoyl]oxy-3-benzyl-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 57208633
benzyl N-(2-benzyl-1,3-dihydroxypropan-2-yl)carbamate
CID 102156454
(3S)-3-benzyl-4-oxo-3-(phenylmethoxycarbonylamino)-4-[[(1R)-1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]propyl]amino]butanoic acid
CID 54506989
methyl (2S)-2-benzyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 18648848
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
methyl (2R)-2-benzyl-4-cyclohexyl-2-(phenylmethoxycarbonylamino)butanoate
CID 46180296
benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
CID 11208783
methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 86193669
benzyl 2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 19011458
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
2-methyl-2,3-diphenyl-N-propan-2-ylpropanamide
CID 110299373

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate (CID 10361691) is benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate is CC[C@](Cc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)NC(C)C.
What is the InChIKey of benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is SLBMFRMPVYPVII-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-22(20(25)23-17(2)3,15-18-11-7-5-8-12-18)24-21(26)27-16-19-13-9-6-10-14-19/h5-14,17H,4,15-16H2,1-3H3,(H,23,25)(H,24,26)/t22-/m1/s1.
What are the key properties of benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate?
benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate has a molecular weight of 368.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-benzyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 10361691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).