benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

C19H21NO2 — CID 143231679

IUPACbenzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESC[C@@H]1Cc2ccccc2C[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-14-11-16-9-5-6-10-17(16)12-18(14)20-19(21)22-13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,20,21)/t14-,18-/m1/s1
InChIKeyBEACRWURWAVRHO-RDTXWAMCSA-N
MW295.38 g/mol
LogP3.72
Rot. Bonds3

About benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (PubChem CID 143231679) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
PubChem CID143231679
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namebenzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESC[C@@H]1Cc2ccccc2C[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-14-11-16-9-5-6-10-17(16)12-18(14)20-19(21)22-13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,20,21)/t14-,18-/m1/s1
InChIKeyBEACRWURWAVRHO-RDTXWAMCSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(phenylmethoxycarbonylamino)-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 69204218
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
[(1R,2S)-2-(phenylmethoxycarbonylamino)-2,3-dihydro-1H-inden-1-yl] acetate
CID 100985430
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
CID 175653873
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclobutyl]carbamate
CID 107850007
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
(1S,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 7157276

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (CID 143231679) is benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is C[C@@H]1Cc2ccccc2C[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The InChIKey is BEACRWURWAVRHO-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-11-16-9-5-6-10-17(16)12-18(14)20-19(21)22-13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,20,21)/t14-,18-/m1/s1.
What are the key properties of benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,3R)-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is sourced from PubChem (CID 143231679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).