1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one

C21H20N4O — CID 142101279

IUPAC1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one
SMILESN/C(=C\NCC(=O)Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O/c22-19(18-12-25-21-8-4-2-6-17(18)21)13-23-11-15(26)9-14-10-24-20-7-3-1-5-16(14)20/h1-8,10,12-13,23-25H,9,11,22H2/b19-13-
InChIKeyKQIJSCGIDOUACW-UYRXBGFRSA-N
MW344.42 g/mol
LogP3.31
Rot. Bonds6

About 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one

1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one (PubChem CID 142101279) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one
PubChem CID142101279
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one
SMILESN/C(=C\NCC(=O)Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O/c22-19(18-12-25-21-8-4-2-6-17(18)21)13-23-11-15(26)9-14-10-24-20-7-3-1-5-16(14)20/h1-8,10,12-13,23-25H,9,11,22H2/b19-13-
InChIKeyKQIJSCGIDOUACW-UYRXBGFRSA-N
XLogP3.31
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one with MolForge

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Related Compounds

CID 87710053
CID 87710053
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3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
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4-(1H-indol-3-yl)butanamide
CID 588715
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449
carbamic acid;N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 158434815
N-[N'-(2-aminoethyl)carbamimidoyl]-1H-indole-3-carboxamide;hydrochloride
CID 67645011
1-O-ethyl 2-O-[3-(1H-indol-3-yl)-2-oxopropyl] oxalate
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bis(3-(1H-indol-3-yl)-2-oxopropanoate);lead(2+)
CID 87710054

Frequently Asked Questions

What is the IUPAC name of 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one?
The IUPAC name of 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one (CID 142101279) is 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one.
What is the SMILES notation for 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one?
The canonical SMILES for 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one is N/C(=C\NCC(=O)Cc1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one?
The InChIKey is KQIJSCGIDOUACW-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H20N4O/c22-19(18-12-25-21-8-4-2-6-17(18)21)13-23-11-15(26)9-14-10-24-20-7-3-1-5-16(14)20/h1-8,10,12-13,23-25H,9,11,22H2/b19-13-.
What are the key properties of 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one?
1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one has a molecular weight of 344.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z)-2-amino-2-(1H-indol-3-yl)ethenyl]amino]-3-(1H-indol-3-yl)propan-2-one is sourced from PubChem (CID 142101279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).