(2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one

C21H24N4O — CID 167982527

IUPAC(2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESNCCC1CN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C21H24N4O/c22-10-9-14-13-25(20-8-4-2-6-17(14)20)21(26)18(23)11-15-12-24-19-7-3-1-5-16(15)19/h1-8,12,14,18,24H,9-11,13,22-23H2/t14?,18-/m1/s1
InChIKeyBWDPFZWOOCAHMH-XPKAQORNSA-N
MW348.45 g/mol
LogP2.52
Rot. Bonds5

About (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one

(2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 167982527) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID167982527
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESNCCC1CN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C21H24N4O/c22-10-9-14-13-25(20-8-4-2-6-17(14)20)21(26)18(23)11-15-12-24-19-7-3-1-5-16(15)19/h1-8,12,14,18,24H,9-11,13,22-23H2/t14?,18-/m1/s1
InChIKeyBWDPFZWOOCAHMH-XPKAQORNSA-N
XLogP2.52
TPSA88.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 167982527) is (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one is NCCC1CN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is BWDPFZWOOCAHMH-XPKAQORNSA-N. The full InChI is InChI=1S/C21H24N4O/c22-10-9-14-13-25(20-8-4-2-6-17(14)20)21(26)18(23)11-15-12-24-19-7-3-1-5-16(15)19/h1-8,12,14,18,24H,9-11,13,22-23H2/t14?,18-/m1/s1.
What are the key properties of (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one?
(2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 167982527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).