N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide

C21H26N2O — CID 110301318

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)NCCN1CCc2ccccc21
InChIInChI=1S/C21H26N2O/c24-21(13-7-4-10-18-8-2-1-3-9-18)22-15-17-23-16-14-19-11-5-6-12-20(19)23/h1-3,5-6,8-9,11-12H,4,7,10,13-17H2,(H,22,24)
InChIKeyMYZSDWBPBHKCOV-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.58
Rot. Bonds8

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide

N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide (PubChem CID 110301318) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
PubChem CID110301318
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)NCCN1CCc2ccccc21
InChIInChI=1S/C21H26N2O/c24-21(13-7-4-10-18-8-2-1-3-9-18)22-15-17-23-16-14-19-11-5-6-12-20(19)23/h1-3,5-6,8-9,11-12H,4,7,10,13-17H2,(H,22,24)
InChIKeyMYZSDWBPBHKCOV-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110301315
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 112502054
3-(3,4-dichlorophenyl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide
CID 110301281
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
3-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024981
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide
CID 133108274
cis-(1S,3R)-3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 133134060

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide (CID 110301318) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide is O=C(CCCCc1ccccc1)NCCN1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide?
The InChIKey is MYZSDWBPBHKCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21(13-7-4-10-18-8-2-1-3-9-18)22-15-17-23-16-14-19-11-5-6-12-20(19)23/h1-3,5-6,8-9,11-12H,4,7,10,13-17H2,(H,22,24).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide has a molecular weight of 322.45 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide is sourced from PubChem (CID 110301318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).