(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide

C23H25N3O — CID 155181306

IUPAC(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc2c(c1)CCCC2NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O/c24-23(27)11-9-16-8-10-20-17(14-16)4-3-7-21(20)25-13-12-18-15-26-22-6-2-1-5-19(18)22/h1-2,5-6,8-11,14-15,21,25-26H,3-4,7,12-13H2,(H2,24,27)/b11-9+
InChIKeyPJWWLHZSLVSWNC-PKNBQFBNSA-N
MW359.47 g/mol
LogP3.88
Rot. Bonds6

About (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide

(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide (PubChem CID 155181306) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide
PubChem CID155181306
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1ccc2c(c1)CCCC2NCCc1c[nH]c2ccccc12
InChIInChI=1S/C23H25N3O/c24-23(27)11-9-16-8-10-20-17(14-16)4-3-7-21(20)25-13-12-18-15-26-22-6-2-1-5-19(18)22/h1-2,5-6,8-11,14-15,21,25-26H,3-4,7,12-13H2,(H2,24,27)/b11-9+
InChIKeyPJWWLHZSLVSWNC-PKNBQFBNSA-N
XLogP3.88
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate
CID 76838115
(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enal
CID 155703924
5-ethenyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 155703888
(2S)-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanamide
CID 90862319
(E)-N-hydroxy-3-[2-[2-(1H-indol-3-yl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613709
(2S)-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 91271906
2-[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 58614559
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(2-phenylethylcarbamoyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614526
4-[[[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-[2-(1H-indol-3-yl)ethyl]amino]methyl]benzamide
CID 58613667
N-[2-(dimethylamino)ethyl]-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]amino]-3-(1H-indol-3-yl)propanamide
CID 76838592
methyl 3-[1-[2-(2-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 76838391
N-hydroxy-3-[1-[(2-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838938

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide (CID 155181306) is (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide is NC(=O)/C=C/c1ccc2c(c1)CCCC2NCCc1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide?
The InChIKey is PJWWLHZSLVSWNC-PKNBQFBNSA-N. The full InChI is InChI=1S/C23H25N3O/c24-23(27)11-9-16-8-10-20-17(14-16)4-3-7-21(20)25-13-12-18-15-26-22-6-2-1-5-19(18)22/h1-2,5-6,8-11,14-15,21,25-26H,3-4,7,12-13H2,(H2,24,27)/b11-9+.
What are the key properties of (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide?
(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide has a molecular weight of 359.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide is sourced from PubChem (CID 155181306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).