(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide

C23H30N2O2 — CID 28636355

IUPAC(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2CCc3ccccc32)c1
InChIInChI=1S/C23H30N2O2/c1-16-14-17(2)18(3)22(15-16)27-19(4)23(26)24-11-7-12-25-13-10-20-8-5-6-9-21(20)25/h5-6,8-9,14-15,19H,7,10-13H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyAPISQGPCTGOMFK-IBGZPJMESA-N
MW366.51 g/mol
LogP3.95
Rot. Bonds7

About (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 28636355) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID28636355
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2CCc3ccccc32)c1
InChIInChI=1S/C23H30N2O2/c1-16-14-17(2)18(3)22(15-16)27-19(4)23(26)24-11-7-12-25-13-10-20-8-5-6-9-21(20)25/h5-6,8-9,14-15,19H,7,10-13H2,1-4H3,(H,24,26)/t19-/m0/s1
InChIKeyAPISQGPCTGOMFK-IBGZPJMESA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30387653
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100562553
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99948161
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3,5-dimethylphenoxy)butanamide
CID 132657155
N-[3-(2-methoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43907336
2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide
CID 46763359
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
CID 120642594
(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972762

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 28636355) is (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCN2CCc3ccccc32)c1.
What is the InChIKey of (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is APISQGPCTGOMFK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16-14-17(2)18(3)22(15-16)27-19(4)23(26)24-11-7-12-25-13-10-20-8-5-6-9-21(20)25/h5-6,8-9,14-15,19H,7,10-13H2,1-4H3,(H,24,26)/t19-/m0/s1.
What are the key properties of (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 366.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 28636355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).