(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide

C21H25N3O3 — CID 126443756

IUPAC(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide
SMILESCN(C)[C@@H](C(=O)NCCN1CCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H25N3O3/c1-23(2)20(16-7-8-18-19(13-16)27-14-26-18)21(25)22-10-12-24-11-9-15-5-3-4-6-17(15)24/h3-8,13,20H,9-12,14H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyZIWHFOWJXNNGOZ-HXUWFJFHSA-N
MW367.45 g/mol
LogP2.20
Rot. Bonds6

About (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide

(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide (PubChem CID 126443756) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide
PubChem CID126443756
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide
SMILESCN(C)[C@@H](C(=O)NCCN1CCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H25N3O3/c1-23(2)20(16-7-8-18-19(13-16)27-14-26-18)21(25)22-10-12-24-11-9-15-5-3-4-6-17(15)24/h3-8,13,20H,9-12,14H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyZIWHFOWJXNNGOZ-HXUWFJFHSA-N
XLogP2.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 73052052
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 110353132
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
CID 91793731
(2R)-2-(1,3-benzodioxol-5-yl)-N-(cyclohexen-1-ylmethyl)-2-(dimethylamino)acetamide
CID 124855091
2-(1,3-benzodioxol-5-yl)-N-(cyclohexen-1-ylmethyl)-2-(dimethylamino)acetamide
CID 91837794
2-(1,3-benzodioxol-5-yl)-N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(dimethylamino)acetamide
CID 91830482
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 16793669
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110620139
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91798352
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119061342
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide (CID 126443756) is (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide is CN(C)[C@@H](C(=O)NCCN1CCc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide?
The InChIKey is ZIWHFOWJXNNGOZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23(2)20(16-7-8-18-19(13-16)27-14-26-18)21(25)22-10-12-24-11-9-15-5-3-4-6-17(15)24/h3-8,13,20H,9-12,14H2,1-2H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide?
(2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 126443756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).