N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide

C20H22N2O3 — CID 75431245

IUPACN-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCC(C)(NC(=O)C1OCCc2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-20(2,19(24)21-15-9-4-3-5-10-15)22-18(23)17-16-11-7-6-8-14(16)12-13-25-17/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYXJCPJJHJJQABW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.83
Rot. Bonds4

About N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide

N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 75431245) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID75431245
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCC(C)(NC(=O)C1OCCc2ccccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c1-20(2,19(24)21-15-9-4-3-5-10-15)22-18(23)17-16-11-7-6-8-14(16)12-13-25-17/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYXJCPJJHJJQABW-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669
3-[4-(3,4-dihydro-1H-isochromene-1-carbonylamino)phenyl]propanoic acid
CID 119994982
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 2990264
(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
N-(2-aminophenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 60983878
4-[[[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]benzoic acid
CID 124626878
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]benzoic acid
CID 119994931
(3R)-3-(4-tert-butylphenyl)-3-[[(1R)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]propanoic acid
CID 99816008
(1R)-N-cyclohexyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7378858
(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 124594378
N-(1-aminopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 63733825

Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 75431245) is N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide is CC(C)(NC(=O)C1OCCc2ccccc21)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is YXJCPJJHJJQABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2,19(24)21-15-9-4-3-5-10-15)22-18(23)17-16-11-7-6-8-14(16)12-13-25-17/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 75431245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).