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

C25H37N3O4 — CID 135334519

IUPAC4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESNC1N(CC2(O)CCOCC2)C(=O)N(CC2(O)CCC2)C12CCC(c1ccccc1)CC2
InChIInChI=1S/C25H37N3O4/c26-21-25(11-7-20(8-12-25)19-5-2-1-3-6-19)28(18-23(30)9-4-10-23)22(29)27(21)17-24(31)13-15-32-16-14-24/h1-3,5-6,20-21,30-31H,4,7-18,26H2
InChIKeyZKFAMWIXYRDMFX-UHFFFAOYSA-N
MW443.59 g/mol
LogP2.56
Rot. Bonds5

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

4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 135334519) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID135334519
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC Name4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESNC1N(CC2(O)CCOCC2)C(=O)N(CC2(O)CCC2)C12CCC(c1ccccc1)CC2
InChIInChI=1S/C25H37N3O4/c26-21-25(11-7-20(8-12-25)19-5-2-1-3-6-19)28(18-23(30)9-4-10-23)22(29)27(21)17-24(31)13-15-32-16-14-24/h1-3,5-6,20-21,30-31H,4,7-18,26H2
InChIKeyZKFAMWIXYRDMFX-UHFFFAOYSA-N
XLogP2.56
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 135334519) is 4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is NC1N(CC2(O)CCOCC2)C(=O)N(CC2(O)CCC2)C12CCC(c1ccccc1)CC2.
What is the InChIKey of 4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZKFAMWIXYRDMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/c26-21-25(11-7-20(8-12-25)19-5-2-1-3-6-19)28(18-23(30)9-4-10-23)22(29)27(21)17-24(31)13-15-32-16-14-24/h1-3,5-6,20-21,30-31H,4,7-18,26H2.
What are the key properties of 4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 443.59 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 135334519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).