N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C24H30N2O2 — CID 100750796

IUPACN-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1cccc2c1CCCC2
InChIInChI=1S/C24H30N2O2/c1-18-16-20-9-3-5-12-22(20)26(18)15-7-14-25-24(27)17-28-23-13-6-10-19-8-2-4-11-21(19)23/h3,5-6,9-10,12-13,18H,2,4,7-8,11,14-17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyNRHIQNLFQHGLAZ-GOSISDBHSA-N
MW378.52 g/mol
LogP3.90
Rot. Bonds7

About N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100750796) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100750796
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1cccc2c1CCCC2
InChIInChI=1S/C24H30N2O2/c1-18-16-20-9-3-5-12-22(20)26(18)15-7-14-25-24(27)17-28-23-13-6-10-19-8-2-4-11-21(19)23/h3,5-6,9-10,12-13,18H,2,4,7-8,11,14-17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyNRHIQNLFQHGLAZ-GOSISDBHSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.90
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

N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100555755
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100569732
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100646197
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100517277
3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
N-[2-(4-methylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100723383
3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100614763
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 125059686
1-(2-ethoxyphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]thiourea
CID 125048440
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
CID 2574622
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]propanamide
CID 125048979

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100750796) is N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is C[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1cccc2c1CCCC2.
What is the InChIKey of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is NRHIQNLFQHGLAZ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18-16-20-9-3-5-12-22(20)26(18)15-7-14-25-24(27)17-28-23-13-6-10-19-8-2-4-11-21(19)23/h3,5-6,9-10,12-13,18H,2,4,7-8,11,14-17H2,1H3,(H,25,27)/t18-/m1/s1.
What are the key properties of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100750796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).