3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C33H46N4O — CID 25190614

IUPAC3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21
InChIInChI=1S/C33H46N4O/c1-32(2)18-17-30(28-15-9-10-16-29(28)32)35-22-19-33(20-23-35)31(38)36(24-21-34-26-11-5-3-6-12-26)25-37(33)27-13-7-4-8-14-27/h4,7-10,13-16,26,30,34H,3,5-6,11-12,17-25H2,1-2H3
InChIKeyHQPWIOOFNUOPRR-UHFFFAOYSA-N
MW514.76 g/mol
LogP5.86
Rot. Bonds6

About 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 25190614) has the molecular formula C33H46N4O and a molecular weight of 514.76 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID25190614
Molecular FormulaC33H46N4O
Molecular Weight514.76 g/mol
Exact Mass514.37
IUPAC Name3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21
InChIInChI=1S/C33H46N4O/c1-32(2)18-17-30(28-15-9-10-16-29(28)32)35-22-19-33(20-23-35)31(38)36(24-21-34-26-11-5-3-6-12-26)25-37(33)27-13-7-4-8-14-27/h4,7-10,13-16,26,30,34H,3,5-6,11-12,17-25H2,1-2H3
InChIKeyHQPWIOOFNUOPRR-UHFFFAOYSA-N
XLogP5.86
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.76
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 25190614) is 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNC2CCCCC2)CN3c2ccccc2)c2ccccc21.
What is the InChIKey of 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is HQPWIOOFNUOPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N4O/c1-32(2)18-17-30(28-15-9-10-16-29(28)32)35-22-19-33(20-23-35)31(38)36(24-21-34-26-11-5-3-6-12-26)25-37(33)27-13-7-4-8-14-27/h4,7-10,13-16,26,30,34H,3,5-6,11-12,17-25H2,1-2H3.
What are the key properties of 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 514.76 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)ethyl]-8-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 25190614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).