(E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide

C17H23N3O — CID 146098281

IUPAC(E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide
SMILESCCN(Cc1cccc2[nH]ccc12)C(=O)/C=C/CN(C)C
InChIInChI=1S/C17H23N3O/c1-4-20(17(21)9-6-12-19(2)3)13-14-7-5-8-16-15(14)10-11-18-16/h5-11,18H,4,12-13H2,1-3H3/b9-6+
InChIKeyYLWOZINDTICEID-RMKNXTFCSA-N
MW285.39 g/mol
LogP2.63
Rot. Bonds6

About (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide

(E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide (PubChem CID 146098281) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide
PubChem CID146098281
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide
SMILESCCN(Cc1cccc2[nH]ccc12)C(=O)/C=C/CN(C)C
InChIInChI=1S/C17H23N3O/c1-4-20(17(21)9-6-12-19(2)3)13-14-7-5-8-16-15(14)10-11-18-16/h5-11,18H,4,12-13H2,1-3H3/b9-6+
InChIKeyYLWOZINDTICEID-RMKNXTFCSA-N
XLogP2.63
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
2,3-dihydroxy-N-(1H-indol-4-ylmethyl)-N-methylbenzamide
CID 122149826
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
2-[1H-indol-4-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 167857165
4-(2-methylbut-2-enyl)-1H-indole
CID 141009102
4-[(dimethylamino)methyl]-3-(1H-indol-4-ylmethylamino)benzamide
CID 167902428
N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 176731995
2-[[1H-indol-4-ylmethyl(methyl)amino]methyl]prop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 166356632
(E)-3-[4-[[ethyl-[2-(1H-indol-4-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150331
1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
CID 121496080
(E)-4-[1H-indol-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237209

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide (CID 146098281) is (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide is CCN(Cc1cccc2[nH]ccc12)C(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide?
The InChIKey is YLWOZINDTICEID-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20(17(21)9-6-12-19(2)3)13-14-7-5-8-16-15(14)10-11-18-16/h5-11,18H,4,12-13H2,1-3H3/b9-6+.
What are the key properties of (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide?
(E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide has a molecular weight of 285.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-ethyl-N-(1H-indol-4-ylmethyl)but-2-enamide is sourced from PubChem (CID 146098281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).