benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate

C24H32N2O4 — CID 59336914

IUPACbenzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate
SMILESCC1(CC(=O)N2CC(NC(=O)OCc3ccccc3)C2)C2CC3CC1CC(C2)C3O
InChIInChI=1S/C24H32N2O4/c1-24(18-7-16-8-19(24)10-17(9-18)22(16)28)11-21(27)26-12-20(13-26)25-23(29)30-14-15-5-3-2-4-6-15/h2-6,16-20,22,28H,7-14H2,1H3,(H,25,29)
InChIKeyUQCIMESAPNQSOK-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.95
Rot. Bonds5

About benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate

benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate (PubChem CID 59336914) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate
PubChem CID59336914
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Namebenzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate
SMILESCC1(CC(=O)N2CC(NC(=O)OCc3ccccc3)C2)C2CC3CC1CC(C2)C3O
InChIInChI=1S/C24H32N2O4/c1-24(18-7-16-8-19(24)10-17(9-18)22(16)28)11-21(27)26-12-20(13-26)25-23(29)30-14-15-5-3-2-4-6-15/h2-6,16-20,22,28H,7-14H2,1H3,(H,25,29)
InChIKeyUQCIMESAPNQSOK-UHFFFAOYSA-N
XLogP2.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl 5-(phenylmethoxycarbonylamino)-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 155145710
benzyl N-[1-[2-(4-fluorophenyl)sulfanylacetyl]azetidin-3-yl]carbamate
CID 146024085
tert-butyl 5-(phenylmethoxycarbonylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 77410972
benzyl N-[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]azetidin-3-yl]carbamate
CID 146024159
benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate
CID 146024173
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-(2-azabicyclo[2.1.1]hexan-5-yl)carbamate
CID 122156999
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate (CID 59336914) is benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate is CC1(CC(=O)N2CC(NC(=O)OCc3ccccc3)C2)C2CC3CC1CC(C2)C3O.
What is the InChIKey of benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate?
The InChIKey is UQCIMESAPNQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-24(18-7-16-8-19(24)10-17(9-18)22(16)28)11-21(27)26-12-20(13-26)25-23(29)30-14-15-5-3-2-4-6-15/h2-6,16-20,22,28H,7-14H2,1H3,(H,25,29).
What are the key properties of benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate?
benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate has a molecular weight of 412.53 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-(6-hydroxy-2-methyl-2-adamantyl)acetyl]azetidin-3-yl]carbamate is sourced from PubChem (CID 59336914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).