N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide

C21H22N2O4 — CID 110627267

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)c1
InChIInChI=1S/C21H22N2O4/c1-14(24)23-11-10-15-6-7-17(13-19(15)23)22-21(26)9-8-20(25)16-4-3-5-18(12-16)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,22,26)
InChIKeyLWPBOVRIHSOJHH-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.21
Rot. Bonds6

About N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide (PubChem CID 110627267) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
PubChem CID110627267
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)c1
InChIInChI=1S/C21H22N2O4/c1-14(24)23-11-10-15-6-7-17(13-19(15)23)22-21(26)9-8-20(25)16-4-3-5-18(12-16)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,22,26)
InChIKeyLWPBOVRIHSOJHH-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623518
N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110426251
methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
CID 110424348
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637691
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38073244
N-[1-[2-(3-methoxyphenyl)acetyl]-2,3-dihydroindol-6-yl]-4-(methylamino)butanamide;hydrochloride
CID 119767253
N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715
4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110613002
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide (CID 110627267) is N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide is COc1cccc(C(=O)CCC(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)c1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide?
The InChIKey is LWPBOVRIHSOJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(24)23-11-10-15-6-7-17(13-19(15)23)22-21(26)9-8-20(25)16-4-3-5-18(12-16)27-2/h3-7,12-13H,8-11H2,1-2H3,(H,22,26).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide has a molecular weight of 366.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110627267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).