benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate

C28H26N2O6 — CID 134590853

IUPACbenzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate
SMILESO=C(NC(=O)c1ccc2c(c1)CCC(C(=O)NC(=O)OCc1ccccc1)C2)OCc1ccccc1
InChIInChI=1S/C28H26N2O6/c31-25(29-27(33)35-17-19-7-3-1-4-8-19)23-13-11-22-16-24(14-12-21(22)15-23)26(32)30-28(34)36-18-20-9-5-2-6-10-20/h1-11,13,15,24H,12,14,16-18H2,(H,29,31,33)(H,30,32,34)
InChIKeyOPIKFMDBVDLUSM-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.31
Rot. Bonds6

About benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate

benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate (PubChem CID 134590853) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate
PubChem CID134590853
Molecular FormulaC28H26N2O6
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC Namebenzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate
SMILESO=C(NC(=O)c1ccc2c(c1)CCC(C(=O)NC(=O)OCc1ccccc1)C2)OCc1ccccc1
InChIInChI=1S/C28H26N2O6/c31-25(29-27(33)35-17-19-7-3-1-4-8-19)23-13-11-22-16-24(14-12-21(22)15-23)26(32)30-28(34)36-18-20-9-5-2-6-10-20/h1-11,13,15,24H,12,14,16-18H2,(H,29,31,33)(H,30,32,34)
InChIKeyOPIKFMDBVDLUSM-UHFFFAOYSA-N
XLogP4.31
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 7-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 70947563
6-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-thiazol-5-yl]ethynyl]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 144672206
benzyl N-[(2S)-1-methylpyrrolidine-2-carbonyl]carbamate
CID 90115821
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233
benzyl N-[(6-ethynyl-2,3-dihydro-1H-inden-1-yl)methyl]carbamate
CID 87999035
N-hydroxy-7-(2-phenylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055219
methyl (2S)-3-phenyl-2-[[(2S)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]propanoate
CID 143932319
2-[6-(N-phenylmethoxycarbonylcarbamimidoyl)naphthalen-2-yl]oxyacetic acid
CID 139662112
benzyl N-(2-benzofuran-5-carboximidoyl)carbamate
CID 140970983
ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
CID 70059375
benzyl (3S)-3-phenylmethoxy-2,3-dihydro-1H-indene-5-carboxylate
CID 90254651
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264

Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate?
The IUPAC name of benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate (CID 134590853) is benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate.
What is the SMILES notation for benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate?
The canonical SMILES for benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate is O=C(NC(=O)c1ccc2c(c1)CCC(C(=O)NC(=O)OCc1ccccc1)C2)OCc1ccccc1.
What is the InChIKey of benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate?
The InChIKey is OPIKFMDBVDLUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c31-25(29-27(33)35-17-19-7-3-1-4-8-19)23-13-11-22-16-24(14-12-21(22)15-23)26(32)30-28(34)36-18-20-9-5-2-6-10-20/h1-11,13,15,24H,12,14,16-18H2,(H,29,31,33)(H,30,32,34).
What are the key properties of benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate?
benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate has a molecular weight of 486.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-(phenylmethoxycarbonylcarbamoyl)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]carbamate is sourced from PubChem (CID 134590853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).