8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H27N3O3 — CID 26214040

IUPAC8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C
InChIInChI=1S/C22H27N3O3/c1-16(15-26)24-11-9-22(10-12-24)20(27)25(21(28)23(22)2)14-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13,16,26H,9-12,14-15H2,1-2H3/t16-/m1/s1
InChIKeyHQDGTWDZAQTCQN-MRXNPFEDSA-N
MW381.48 g/mol
LogP2.45
Rot. Bonds4

About 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26214040) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26214040
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C
InChIInChI=1S/C22H27N3O3/c1-16(15-26)24-11-9-22(10-12-24)20(27)25(21(28)23(22)2)14-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13,16,26H,9-12,14-15H2,1-2H3/t16-/m1/s1
InChIKeyHQDGTWDZAQTCQN-MRXNPFEDSA-N
XLogP2.45
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26214040) is 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C.
What is the InChIKey of 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HQDGTWDZAQTCQN-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(15-26)24-11-9-22(10-12-24)20(27)25(21(28)23(22)2)14-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13,16,26H,9-12,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 381.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26214040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).