4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one

C27H35N3O2 — CID 135374835

IUPAC4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESNC1N(CCc2ccccc2)C(=O)N(CC2(O)CCC2)C12CCC(c1ccccc1)CC2
InChIInChI=1S/C27H35N3O2/c28-24-27(17-12-23(13-18-27)22-10-5-2-6-11-22)30(20-26(32)15-7-16-26)25(31)29(24)19-14-21-8-3-1-4-9-21/h1-6,8-11,23-24,32H,7,12-20,28H2
InChIKeyKBFCNPPQQIQZIV-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.26
Rot. Bonds6

About 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one

4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 135374835) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID135374835
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESNC1N(CCc2ccccc2)C(=O)N(CC2(O)CCC2)C12CCC(c1ccccc1)CC2
InChIInChI=1S/C27H35N3O2/c28-24-27(17-12-23(13-18-27)22-10-5-2-6-11-22)30(20-26(32)15-7-16-26)25(31)29(24)19-14-21-8-3-1-4-9-21/h1-6,8-11,23-24,32H,7,12-20,28H2
InChIKeyKBFCNPPQQIQZIV-UHFFFAOYSA-N
XLogP4.26
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one (CID 135374835) is 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one is NC1N(CCc2ccccc2)C(=O)N(CC2(O)CCC2)C12CCC(c1ccccc1)CC2.
What is the InChIKey of 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KBFCNPPQQIQZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c28-24-27(17-12-23(13-18-27)22-10-5-2-6-11-22)30(20-26(32)15-7-16-26)25(31)29(24)19-14-21-8-3-1-4-9-21/h1-6,8-11,23-24,32H,7,12-20,28H2.
What are the key properties of 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one?
4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 433.60 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-phenylethyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 135374835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).