(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide

C24H38N4O3 — CID 69317907

IUPAC(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CN(C)C)C(=O)NCCN1CCc2ccccc21
InChIInChI=1S/C24H38N4O3/c1-4-20(29)11-6-5-7-12-21(26-23(30)18-27(2)3)24(31)25-15-17-28-16-14-19-10-8-9-13-22(19)28/h8-10,13,21H,4-7,11-12,14-18H2,1-3H3,(H,25,31)(H,26,30)/t21-/m0/s1
InChIKeyLNDNVCSTDQLBSB-NRFANRHFSA-N
MW430.59 g/mol
LogP2.14
Rot. Bonds14

About (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide

(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide (PubChem CID 69317907) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide
PubChem CID69317907
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CN(C)C)C(=O)NCCN1CCc2ccccc21
InChIInChI=1S/C24H38N4O3/c1-4-20(29)11-6-5-7-12-21(26-23(30)18-27(2)3)24(31)25-15-17-28-16-14-19-10-8-9-13-22(19)28/h8-10,13,21H,4-7,11-12,14-18H2,1-3H3,(H,25,31)(H,26,30)/t21-/m0/s1
InChIKeyLNDNVCSTDQLBSB-NRFANRHFSA-N
XLogP2.14
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-1,8-dioxodecan-2-yl]-1H-pyrazole-4-carboxamide
CID 69317900
(2S)-2-[[2-(dimethylamino)acetyl]amino]-8-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]decanamide
CID 69318203
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide
CID 126443756
(2S)-N-cyclopentyl-8-oxo-2-[(2-phenylacetyl)amino]decanamide
CID 69321917
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 112502054
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110301315
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide?
The IUPAC name of (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide (CID 69317907) is (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide.
What is the SMILES notation for (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide?
The canonical SMILES for (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide is CCC(=O)CCCCC[C@H](NC(=O)CN(C)C)C(=O)NCCN1CCc2ccccc21.
What is the InChIKey of (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide?
The InChIKey is LNDNVCSTDQLBSB-NRFANRHFSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-4-20(29)11-6-5-7-12-21(26-23(30)18-27(2)3)24(31)25-15-17-28-16-14-19-10-8-9-13-22(19)28/h8-10,13,21H,4-7,11-12,14-18H2,1-3H3,(H,25,31)(H,26,30)/t21-/m0/s1.
What are the key properties of (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide?
(2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide has a molecular weight of 430.59 g/mol, XLogP of 2.14, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[[2-(dimethylamino)acetyl]amino]-8-oxodecanamide is sourced from PubChem (CID 69317907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).