tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate

C19H30N2O5 — CID 139831127

IUPACtert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate
SMILESCOC[C@H](Cc1ccccc1)[C@](CNC(=O)OC(C)(C)C)(OC)C(N)=O
InChIInChI=1S/C19H30N2O5/c1-18(2,3)26-17(23)21-13-19(25-5,16(20)22)15(12-24-4)11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H2,20,22)(H,21,23)/t15-,19-/m0/s1
InChIKeyLCHTXHUOAVPYPA-KXBFYZLASA-N
MW366.46 g/mol
LogP1.89
Rot. Bonds9

About tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate

tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate (PubChem CID 139831127) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate
PubChem CID139831127
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate
SMILESCOC[C@H](Cc1ccccc1)[C@](CNC(=O)OC(C)(C)C)(OC)C(N)=O
InChIInChI=1S/C19H30N2O5/c1-18(2,3)26-17(23)21-13-19(25-5,16(20)22)15(12-24-4)11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H2,20,22)(H,21,23)/t15-,19-/m0/s1
InChIKeyLCHTXHUOAVPYPA-KXBFYZLASA-N
XLogP1.89
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate with MolForge

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Related Compounds

methyl (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10565656
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
methyl 2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]sulfonyl-3-phenylpropanoate
CID 67723686
methyl (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methylcarbamoylamino]-3-phenylpropanoate
CID 102396620
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
benzyl (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
CID 124930565
tert-butyl N-[(2S)-3-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-2-benzyl-3-oxopropyl]carbamate
CID 101125386
tert-butyl N-[(2S)-1-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]butylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10918947
(2S,3R)-3-benzyl-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57312616
ethyl 2-(2-methoxyethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate
CID 142205294
3-benzyl-2,2-dimethyl-4-phenylbutanamide
CID 175211278
(2R,3R,4S)-3-hydroxy-2-(2-methoxyethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 11269056

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate (CID 139831127) is tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate is COC[C@H](Cc1ccccc1)[C@](CNC(=O)OC(C)(C)C)(OC)C(N)=O.
What is the InChIKey of tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate?
The InChIKey is LCHTXHUOAVPYPA-KXBFYZLASA-N. The full InChI is InChI=1S/C19H30N2O5/c1-18(2,3)26-17(23)21-13-19(25-5,16(20)22)15(12-24-4)11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H2,20,22)(H,21,23)/t15-,19-/m0/s1.
What are the key properties of tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate?
tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 1.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-3-benzyl-2-carbamoyl-2,4-dimethoxybutyl]carbamate is sourced from PubChem (CID 139831127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).