propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate

C14H18INO2 — CID 92533265

IUPACpropan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
SMILESCC(C)OC(=O)N[C@@H]1c2ccccc2CC[C@@H]1I
InChIInChI=1S/C14H18INO2/c1-9(2)18-14(17)16-13-11-6-4-3-5-10(11)7-8-12(13)15/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyXVBFCQDDPWPAKJ-QWHCGFSZSA-N
MW359.21 g/mol
LogP3.61
Rot. Bonds2

About propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate

propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate (PubChem CID 92533265) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
PubChem CID92533265
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Namepropan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
SMILESCC(C)OC(=O)N[C@@H]1c2ccccc2CC[C@@H]1I
InChIInChI=1S/C14H18INO2/c1-9(2)18-14(17)16-13-11-6-4-3-5-10(11)7-8-12(13)15/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyXVBFCQDDPWPAKJ-QWHCGFSZSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
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-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 139750970
propan-2-yl N-(1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 116655524
2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42627892
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780
N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 102001294
2-methylpropyl N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 61367021
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 10293617
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 154807752
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide
CID 83149871

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The IUPAC name of propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate (CID 92533265) is propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate is CC(C)OC(=O)N[C@@H]1c2ccccc2CC[C@@H]1I.
What is the InChIKey of propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
The InChIKey is XVBFCQDDPWPAKJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9(2)18-14(17)16-13-11-6-4-3-5-10(11)7-8-12(13)15/h3-6,9,12-13H,7-8H2,1-2H3,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate?
propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate has a molecular weight of 359.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate is sourced from PubChem (CID 92533265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).