(3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide

C22H26N2O3 — CID 98284985

IUPAC(3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide
SMILESCOc1cccc([C@@H](C)CC(=O)N[C@H]2C(=O)Nc3ccc(C(C)C)cc32)c1
InChIInChI=1S/C22H26N2O3/c1-13(2)15-8-9-19-18(12-15)21(22(26)23-19)24-20(25)10-14(3)16-6-5-7-17(11-16)27-4/h5-9,11-14,21H,10H2,1-4H3,(H,23,26)(H,24,25)/t14-,21+/m0/s1
InChIKeyVMFUTHBHBIFVGS-LHSJRXKWSA-N
MW366.46 g/mol
LogP4.12
Rot. Bonds6

About (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide

(3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide (PubChem CID 98284985) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide.

Molecular Properties

Compound Name(3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide
PubChem CID98284985
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide
SMILESCOc1cccc([C@@H](C)CC(=O)N[C@H]2C(=O)Nc3ccc(C(C)C)cc32)c1
InChIInChI=1S/C22H26N2O3/c1-13(2)15-8-9-19-18(12-15)21(22(26)23-19)24-20(25)10-14(3)16-6-5-7-17(11-16)27-4/h5-9,11-14,21H,10H2,1-4H3,(H,23,26)(H,24,25)/t14-,21+/m0/s1
InChIKeyVMFUTHBHBIFVGS-LHSJRXKWSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide
CID 98284984
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119427977
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3-methoxyphenyl)butanamide
CID 111972017
propan-2-yl 3-(3-methoxyphenyl)butanoate
CID 10799820
N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
CID 109479061
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
1-[[3-(3-methoxyphenyl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545023
(3R)-N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-(3-methoxyphenyl)butanamide
CID 97018455
N-(2-hydroxy-2,3-dimethylbutyl)-3-(3-methoxyphenyl)butanamide
CID 71973986
5-methoxy-3-(3-methylbutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990091
3-hydroxy-5-propan-2-yl-1,3-dihydroindol-2-one
CID 61361238
2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid
CID 122109779

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide?
The IUPAC name of (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide (CID 98284985) is (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide.
What is the SMILES notation for (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide?
The canonical SMILES for (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide is COc1cccc([C@@H](C)CC(=O)N[C@H]2C(=O)Nc3ccc(C(C)C)cc32)c1.
What is the InChIKey of (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide?
The InChIKey is VMFUTHBHBIFVGS-LHSJRXKWSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-13(2)15-8-9-19-18(12-15)21(22(26)23-19)24-20(25)10-14(3)16-6-5-7-17(11-16)27-4/h5-9,11-14,21H,10H2,1-4H3,(H,23,26)(H,24,25)/t14-,21+/m0/s1.
What are the key properties of (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide?
(3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide has a molecular weight of 366.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methoxyphenyl)-N-[(3R)-2-oxo-5-propan-2-yl-1,3-dihydroindol-3-yl]butanamide is sourced from PubChem (CID 98284985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).