N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate

C11H13INO2- — CID 132961576

IUPACN-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate
SMILESC[C@H](CI)N(Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C11H14INO2/c1-9(7-12)13(11(14)15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)/p-1/t9-/m1/s1
InChIKeyXMVXNYAPBRBLTE-SECBINFHSA-M
MW318.13 g/mol
LogP1.66
Rot. Bonds4

About N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate

N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate (PubChem CID 132961576) has the molecular formula C11H13INO2- and a molecular weight of 318.13 g/mol. Its IUPAC name is N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate.

Molecular Properties

Compound NameN-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate
PubChem CID132961576
Molecular FormulaC11H13INO2-
Molecular Weight318.13 g/mol
Exact Mass318.00
IUPAC NameN-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate
SMILESC[C@H](CI)N(Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C11H14INO2/c1-9(7-12)13(11(14)15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)/p-1/t9-/m1/s1
InChIKeyXMVXNYAPBRBLTE-SECBINFHSA-M
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(1-hydroxy-3-methylpentan-2-yl)carbamate
CID 57368596
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CID 57361505
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-[(2S)-1-oxo-1-(pyrrol-1-ylamino)propan-2-yl]carbamate
CID 22849591
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
(2R)-2-(dibenzylamino)pentan-3-one
CID 11219765
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate?
The IUPAC name of N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate (CID 132961576) is N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate.
What is the SMILES notation for N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate?
The canonical SMILES for N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate is C[C@H](CI)N(Cc1ccccc1)C(=O)[O-].
What is the InChIKey of N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate?
The InChIKey is XMVXNYAPBRBLTE-SECBINFHSA-M. The full InChI is InChI=1S/C11H14INO2/c1-9(7-12)13(11(14)15)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,15)/p-1/t9-/m1/s1.
What are the key properties of N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate?
N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate has a molecular weight of 318.13 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R)-1-iodopropan-2-yl]carbamate is sourced from PubChem (CID 132961576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).