(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide

C21H25N3O2 — CID 8704392

IUPAC(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15-8-10-18(11-9-15)22-20(25)14-23(3)21(26)16(2)24-13-12-17-6-4-5-7-19(17)24/h4-11,16H,12-14H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyOUPZWXFCIHKQQI-INIZCTEOSA-N
MW351.45 g/mol
LogP2.84
Rot. Bonds5

About (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide

(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide (PubChem CID 8704392) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
PubChem CID8704392
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15-8-10-18(11-9-15)22-20(25)14-23(3)21(26)16(2)24-13-12-17-6-4-5-7-19(17)24/h4-11,16H,12-14H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyOUPZWXFCIHKQQI-INIZCTEOSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17494408
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17484909
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-piperidin-1-ylpropanamide
CID 8894647
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8687371
2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 112810869
(2S)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide
CID 8725879
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 8932063
3-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide
CID 108953092
N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489817
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide (CID 8704392) is (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide is Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCc3ccccc32)cc1.
What is the InChIKey of (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
The InChIKey is OUPZWXFCIHKQQI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-8-10-18(11-9-15)22-20(25)14-23(3)21(26)16(2)24-13-12-17-6-4-5-7-19(17)24/h4-11,16H,12-14H2,1-3H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide?
(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide is sourced from PubChem (CID 8704392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).