N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide

C21H23NO4 — CID 4902255

IUPACN-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)Cc3cc(C(C)C)ccc3C(=O)O2)c1
InChIInChI=1S/C21H23NO4/c1-13(2)14-8-9-18-15(10-14)12-21(3,26-19(18)23)20(24)22-16-6-5-7-17(11-16)25-4/h5-11,13H,12H2,1-4H3,(H,22,24)
InChIKeyZDHCCMHQHCTTDQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.93
Rot. Bonds4

About N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide

N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide (PubChem CID 4902255) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
PubChem CID4902255
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC NameN-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)Cc3cc(C(C)C)ccc3C(=O)O2)c1
InChIInChI=1S/C21H23NO4/c1-13(2)14-8-9-18-15(10-14)12-21(3,26-19(18)23)20(24)22-16-6-5-7-17(11-16)25-4/h5-11,13H,12H2,1-4H3,(H,22,24)
InChIKeyZDHCCMHQHCTTDQ-UHFFFAOYSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide
CID 4904914
methyl 3-[[(3R)-3-methyl-1-oxo-4H-isochromene-3-carbonyl]amino]benzoate
CID 41048388
3-methyl-1-oxo-6-propan-2-yl-N-(1,3-thiazol-2-yl)-4H-isochromene-3-carboxamide
CID 4909952
3,6-dimethyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide
CID 4976245
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
(3R)-N-(4-ethoxy-3-methoxyphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 41046982
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 55593136
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 56582295
3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729422
2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-(3-methoxyphenyl)acetamide
CID 17200869
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide (CID 4902255) is N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide is COc1cccc(NC(=O)C2(C)Cc3cc(C(C)C)ccc3C(=O)O2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide?
The InChIKey is ZDHCCMHQHCTTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(2)14-8-9-18-15(10-14)12-21(3,26-19(18)23)20(24)22-16-6-5-7-17(11-16)25-4/h5-11,13H,12H2,1-4H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide?
N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-methyl-1-oxo-6-propan-2-yl-4H-isochromene-3-carboxamide is sourced from PubChem (CID 4902255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).