(4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

C28H28N2O3 — CID 29139809

IUPAC(4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2
InChIInChI=1S/C28H28N2O3/c1-33-24-17-9-8-16-23(24)29-26(31)25-21-14-6-7-15-22(21)27(32)30(20-12-4-2-5-13-20)28(25)18-10-3-11-19-28/h2,4-9,12-17,25H,3,10-11,18-19H2,1H3,(H,29,31)/t25-/m0/s1
InChIKeyDEUUJCSICQJHPN-VWLOTQADSA-N
MW440.54 g/mol
LogP5.78
Rot. Bonds4

About (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide

(4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (PubChem CID 29139809) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
PubChem CID29139809
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name(4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
SMILESCOc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2
InChIInChI=1S/C28H28N2O3/c1-33-24-17-9-8-16-23(24)29-26(31)25-21-14-6-7-15-22(21)27(32)30(20-12-4-2-5-13-20)28(25)18-10-3-11-19-28/h2,4-9,12-17,25H,3,10-11,18-19H2,1H3,(H,29,31)/t25-/m0/s1
InChIKeyDEUUJCSICQJHPN-VWLOTQADSA-N
XLogP5.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45493765
N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 42653199
N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 42652827
(4S)-N-(2-methoxyphenyl)-1-oxo-2-[[(2R)-oxolan-2-yl]methyl]spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 97161800
(4S)-1-oxo-2-phenyl-N-(1,3-thiazol-2-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 29133313
(4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 51718203
N-(2-ethoxyphenyl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 51052851
1-oxo-2-phenyl-N-(pyridin-4-ylmethyl)spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 42652431
(4S)-N-(2,4-dimethoxyphenyl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 39337832
N-(2-ethylphenyl)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 51054821
(4R)-1-oxo-2-phenyl-N-(pyridin-3-ylmethyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 51721969
(4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one
CID 51721184

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The IUPAC name of (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide (CID 29139809) is (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The canonical SMILES for (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2.
What is the InChIKey of (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
The InChIKey is DEUUJCSICQJHPN-VWLOTQADSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-33-24-17-9-8-16-23(24)29-26(31)25-21-14-6-7-15-22(21)27(32)30(20-12-4-2-5-13-20)28(25)18-10-3-11-19-28/h2,4-9,12-17,25H,3,10-11,18-19H2,1H3,(H,29,31)/t25-/m0/s1.
What are the key properties of (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide?
(4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-methoxyphenyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide is sourced from PubChem (CID 29139809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).