N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide

C13H18N2O — CID 163155161

IUPACN-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide
SMILESCCC(=O)NN1c2ccccc2[C@@H](C)[C@@H]1C
InChIInChI=1S/C13H18N2O/c1-4-13(16)14-15-10(3)9(2)11-7-5-6-8-12(11)15/h5-10H,4H2,1-3H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyOVCGUTLZHAOTPL-UWVGGRQHSA-N
MW218.30 g/mol
LogP2.44
Rot. Bonds2

About N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide

N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide (PubChem CID 163155161) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide
PubChem CID163155161
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide
SMILESCCC(=O)NN1c2ccccc2[C@@H](C)[C@@H]1C
InChIInChI=1S/C13H18N2O/c1-4-13(16)14-15-10(3)9(2)11-7-5-6-8-12(11)15/h5-10H,4H2,1-3H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyOVCGUTLZHAOTPL-UWVGGRQHSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-propyl-2,3-dihydroindole
CID 161026697
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide
CID 162807837
N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
CID 110751361
(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
CID 92533105
ethane;1,2,3-trimethyl-2,3-dihydroindole
CID 91500184
N-[9H-fluoren-9-yl-(propanoylamino)boranyl]propanamide
CID 22485906
3-methyl-1-propanoyl-3H-indol-2-one
CID 145119446
2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-propan-2-ylacetamide
CID 91638164
(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 71387028
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]-2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]ethanone
CID 70128002
2-(2-methyl-1-pentyl-2,3-dihydroindol-3-yl)acetic acid
CID 91464048

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide?
The IUPAC name of N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide (CID 163155161) is N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide.
What is the SMILES notation for N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide?
The canonical SMILES for N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide is CCC(=O)NN1c2ccccc2[C@@H](C)[C@@H]1C.
What is the InChIKey of N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide?
The InChIKey is OVCGUTLZHAOTPL-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-13(16)14-15-10(3)9(2)11-7-5-6-8-12(11)15/h5-10H,4H2,1-3H3,(H,14,16)/t9-,10-/m0/s1.
What are the key properties of N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide?
N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide has a molecular weight of 218.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide is sourced from PubChem (CID 163155161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).