(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

C29H31N3O2 — CID 44571023

IUPAC(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)[C@@H]3c2ccccc2)cc1
InChIInChI=1S/C29H31N3O2/c1-21(2)22-13-15-24(16-14-22)30-28(34)31-19-17-29(18-20-31)26(23-9-5-3-6-10-23)32(27(29)33)25-11-7-4-8-12-25/h3-16,21,26H,17-20H2,1-2H3,(H,30,34)/t26-/m1/s1
InChIKeyWPIUSHJITWEDBW-AREMUKBSSA-N
MW453.59 g/mol
LogP6.21
Rot. Bonds4

About (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide

(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 44571023) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID44571023
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)[C@@H]3c2ccccc2)cc1
InChIInChI=1S/C29H31N3O2/c1-21(2)22-13-15-24(16-14-22)30-28(34)31-19-17-29(18-20-31)26(23-9-5-3-6-10-23)32(27(29)33)25-11-7-4-8-12-25/h3-16,21,26H,17-20H2,1-2H3,(H,30,34)/t26-/m1/s1
InChIKeyWPIUSHJITWEDBW-AREMUKBSSA-N
XLogP6.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44570932
1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24951866
N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24955236
N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24952584
3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24953805
3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4089717
3-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3276961
N-(4-propan-2-ylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3789678
4-benzoyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688484
3-methylidene-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 143644356
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398

Frequently Asked Questions

What is the IUPAC name of (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 44571023) is (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is CC(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)[C@@H]3c2ccccc2)cc1.
What is the InChIKey of (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is WPIUSHJITWEDBW-AREMUKBSSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-21(2)22-13-15-24(16-14-22)30-28(34)31-19-17-29(18-20-31)26(23-9-5-3-6-10-23)32(27(29)33)25-11-7-4-8-12-25/h3-16,21,26H,17-20H2,1-2H3,(H,30,34)/t26-/m1/s1.
What are the key properties of (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide?
(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 44571023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).