N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide

C21H24N2O4 — CID 38073244

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C21H24N2O4/c1-14(24)23-11-10-15-12-17(5-7-19(15)23)22-21(25)9-4-16-13-18(26-2)6-8-20(16)27-3/h5-8,12-13H,4,9-11H2,1-3H3,(H,22,25)
InChIKeyMRLYZMPAJCOQEJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.18
Rot. Bonds6

About N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide (PubChem CID 38073244) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
PubChem CID38073244
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1
InChIInChI=1S/C21H24N2O4/c1-14(24)23-11-10-15-12-17(5-7-19(15)23)22-21(25)9-4-16-13-18(26-2)6-8-20(16)27-3/h5-8,12-13H,4,9-11H2,1-3H3,(H,22,25)
InChIKeyMRLYZMPAJCOQEJ-UHFFFAOYSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637691
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 38018921
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110627267
N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42362175
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide (CID 38073244) is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(CCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is MRLYZMPAJCOQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(24)23-11-10-15-12-17(5-7-19(15)23)22-21(25)9-4-16-13-18(26-2)6-8-20(16)27-3/h5-8,12-13H,4,9-11H2,1-3H3,(H,22,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 368.43 g/mol, XLogP of 3.18, 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-5-yl)-3-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 38073244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).