(1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide

C21H24N2O3 — CID 95096335

IUPAC(1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2c3ccccc3CC(=O)N2C(C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)23-19(24)12-16-6-4-5-7-18(16)20(23)21(25)22-13-15-8-10-17(26-3)11-9-15/h4-11,14,20H,12-13H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyUIVJTGMKXJVWTM-HXUWFJFHSA-N
MW352.43 g/mol
LogP2.85
Rot. Bonds5

About (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide

(1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 95096335) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID95096335
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2c3ccccc3CC(=O)N2C(C)C)cc1
InChIInChI=1S/C21H24N2O3/c1-14(2)23-19(24)12-16-6-4-5-7-18(16)20(23)21(25)22-13-15-8-10-17(26-3)11-9-15/h4-11,14,20H,12-13H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyUIVJTGMKXJVWTM-HXUWFJFHSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide with MolForge

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Related Compounds

(1S)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096417
(1R)-2-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096125
(1R)-N-[(3-methylphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096301
N-[(3-chlorophenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 53147626
(1S)-N-[(2-methylphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096340
N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 53147635
(1R)-3-oxo-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,4-dihydroisoquinoline-1-carboxamide
CID 95096376
(1S)-3-oxo-N-[(4-propan-2-yloxyphenyl)methyl]-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096290
N-[(4-ethoxyphenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 53147599
(1R)-3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096305
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096429
(1S)-2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096602

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide (CID 95096335) is (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide is COc1ccc(CNC(=O)[C@H]2c3ccccc3CC(=O)N2C(C)C)cc1.
What is the InChIKey of (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is UIVJTGMKXJVWTM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(2)23-19(24)12-16-6-4-5-7-18(16)20(23)21(25)22-13-15-8-10-17(26-3)11-9-15/h4-11,14,20H,12-13H2,1-3H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide?
(1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 95096335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).