8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one

C27H37N3O2 — CID 130202348

IUPAC8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCCN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C27H37N3O2/c1-5-19-30-25(31)29(20-22-11-13-24(32-4)14-12-22)21-26(30)15-17-27(18-16-26,28(2)3)23-9-7-6-8-10-23/h6-14H,5,15-21H2,1-4H3
InChIKeySXFLFVXSZGMVAC-UHFFFAOYSA-N
MW435.61 g/mol
LogP5.11
Rot. Bonds7

About 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202348) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202348
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCCN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C27H37N3O2/c1-5-19-30-25(31)29(20-22-11-13-24(32-4)14-12-22)21-26(30)15-17-27(18-16-26,28(2)3)23-9-7-6-8-10-23/h6-14H,5,15-21H2,1-4H3
InChIKeySXFLFVXSZGMVAC-UHFFFAOYSA-N
XLogP5.11
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Methoxyphenyl)methyl]-3-(2-{3-[2-({[(4-methoxyphenyl)methyl]carbamoyl}amino)propan-2-YL]phenyl}propan-2-YL)urea
CID 3488474
1-[1-(3-Isopropenyl-phenyl)-1-methyl-ethyl]-3-(4-methoxy-benzyl)-urea
CID 753408
1-Methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(3-phenoxy-propyl)-pyrrolidinium
CID 16125587
(R)-N-(1-(4-methoxyphenyl)ethyl)-3,3-diphenyl-N-(2-(pyrrolidin-1-yl)ethyl)prop-2-en-1-amine
CID 155689935
Imidazolidine, 1,3-dimethyl-2-(p-methoxyphenyl)-
CID 31713
3-(1-Benzyl-piperidin-4-yl)-5,5-di-(4-methoxyphenyl)-imidazolidin-2-one
CID 16125224
3-(1-(2-Methoxybenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125570
3-(1-(3-Methoxybenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125571
3-(1-(4-Methoxybenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125618
1,3-Bis-{6-[ethyl-(2-methoxybenzyl)amino]hexyl}imidazolidin-2-one
CID 25150452
1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-3-(4-methoxy-benzyl)-urea
CID 44392220
1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl-3-(4-methoxy-benzyl)-urea
CID 44392253

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202348) is 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one is CCCN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SXFLFVXSZGMVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-5-19-30-25(31)29(20-22-11-13-24(32-4)14-12-22)21-26(30)15-17-27(18-16-26,28(2)3)23-9-7-6-8-10-23/h6-14H,5,15-21H2,1-4H3.
What are the key properties of 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 435.61 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).