1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide

C16H22N2O2 — CID 30886490

IUPAC1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
SMILESCCC[C@H](C)NC(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H22N2O2/c1-4-5-11(2)17-16(20)14-6-7-15-13(10-14)8-9-18(15)12(3)19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyOVIXGPAYZPLOAE-NSHDSACASA-N
MW274.36 g/mol
LogP2.51
Rot. Bonds4

About 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 30886490) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID30886490
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
SMILESCCC[C@H](C)NC(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H22N2O2/c1-4-5-11(2)17-16(20)14-6-7-15-13(10-14)8-9-18(15)12(3)19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyOVIXGPAYZPLOAE-NSHDSACASA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 51959933
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 119260893
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156
1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 55577789
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119218926
1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 24532068
1-acetyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2,3-dihydroindole-5-carboxamide
CID 51266884
2-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100949
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide (CID 30886490) is 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide is CCC[C@H](C)NC(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is OVIXGPAYZPLOAE-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-5-11(2)17-16(20)14-6-7-15-13(10-14)8-9-18(15)12(3)19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 30886490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).