(2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide

C22H26N4O3 — CID 52800953

IUPAC(2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2C(N)=O)c1
InChIInChI=1S/C22H26N4O3/c1-3-25(4-2)22(29)16-9-7-10-17(12-16)24-20(27)14-26-18-11-6-5-8-15(18)13-19(26)21(23)28/h5-12,19H,3-4,13-14H2,1-2H3,(H2,23,28)(H,24,27)/t19-/m0/s1
InChIKeyAFSWQKSJNZESMH-IBGZPJMESA-N
MW394.48 g/mol
LogP2.02
Rot. Bonds7

About (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 52800953) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide
PubChem CID52800953
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2C(N)=O)c1
InChIInChI=1S/C22H26N4O3/c1-3-25(4-2)22(29)16-9-7-10-17(12-16)24-20(27)14-26-18-11-6-5-8-15(18)13-19(26)21(23)28/h5-12,19H,3-4,13-14H2,1-2H3,(H2,23,28)(H,24,27)/t19-/m0/s1
InChIKeyAFSWQKSJNZESMH-IBGZPJMESA-N
XLogP2.02
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-carbamothioylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 82032292
N,N-diethyl-3-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzamide
CID 32610918
4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 4818217
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119269057
tert-butyl 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperazine-1-carboxylate
CID 34197048
N,N-diethyl-3-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8596359
N-cyclopropyl-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86924989
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide (CID 52800953) is (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2C(N)=O)c1.
What is the InChIKey of (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is AFSWQKSJNZESMH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-25(4-2)22(29)16-9-7-10-17(12-16)24-20(27)14-26-18-11-6-5-8-15(18)13-19(26)21(23)28/h5-12,19H,3-4,13-14H2,1-2H3,(H2,23,28)(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 52800953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).