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

C24H30N2O2 — CID 100562553

IUPAC(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C24H30N2O2/c1-18(28-23-13-6-10-19-8-2-4-11-21(19)23)24(27)25-15-7-16-26-17-14-20-9-3-5-12-22(20)26/h3,5-6,9-10,12-13,18H,2,4,7-8,11,14-17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyKFGWOOQTPZHMSI-GOSISDBHSA-N
MW378.52 g/mol
LogP3.90
Rot. Bonds7

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

(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 100562553) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID100562553
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C24H30N2O2/c1-18(28-23-13-6-10-19-8-2-4-11-21(19)23)24(27)25-15-7-16-26-17-14-20-9-3-5-12-22(20)26/h3,5-6,9-10,12-13,18H,2,4,7-8,11,14-17H2,1H3,(H,25,27)/t18-/m1/s1
InChIKeyKFGWOOQTPZHMSI-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

(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30387653
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636355
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)propanamide
CID 133261915
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide
CID 46763359

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of (2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 100562553) is (2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for (2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for (2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of (2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is KFGWOOQTPZHMSI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18(28-23-13-6-10-19-8-2-4-11-21(19)23)24(27)25-15-7-16-26-17-14-20-9-3-5-12-22(20)26/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 (2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide 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 (2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 100562553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).