N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide

C18H21N3O3 — CID 119505747

IUPACN-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
SMILESCCNCCNC(=O)c1occc1CN1C(=O)Cc2ccccc21
InChIInChI=1S/C18H21N3O3/c1-2-19-8-9-20-18(23)17-14(7-10-24-17)12-21-15-6-4-3-5-13(15)11-16(21)22/h3-7,10,19H,2,8-9,11-12H2,1H3,(H,20,23)
InChIKeyKJUIKBBBKRLNLA-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.71
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide

N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide (PubChem CID 119505747) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
PubChem CID119505747
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
SMILESCCNCCNC(=O)c1occc1CN1C(=O)Cc2ccccc21
InChIInChI=1S/C18H21N3O3/c1-2-19-8-9-20-18(23)17-14(7-10-24-17)12-21-15-6-4-3-5-13(15)11-16(21)22/h3-7,10,19H,2,8-9,11-12H2,1H3,(H,20,23)
InChIKeyKJUIKBBBKRLNLA-UHFFFAOYSA-N
XLogP1.71
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119645188
N-(4-aminocyclohexyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119475490
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120944653
3-[(2-oxo-3H-indol-1-yl)methyl]-N-piperidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119425394
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide
CID 119613936
N-(2-amino-1-cyclopropylethyl)-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide;hydrochloride
CID 119613935
N-methyl-3-[(2-oxo-3H-indol-1-yl)methyl]-N-[(3S)-pyrrolidin-3-yl]furan-2-carboxamide
CID 125146446
1-[3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354664
1-[[2-[3-(methylaminomethyl)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 119395775
1-[[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one;hydrochloride
CID 119622525
1-[[2-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 125146734
1-[[2-[2-(hydroxymethyl)morpholine-4-carbonyl]furan-3-yl]methyl]-3H-indol-2-one
CID 154858387

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide (CID 119505747) is N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide is CCNCCNC(=O)c1occc1CN1C(=O)Cc2ccccc21.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is KJUIKBBBKRLNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-19-8-9-20-18(23)17-14(7-10-24-17)12-21-15-6-4-3-5-13(15)11-16(21)22/h3-7,10,19H,2,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide?
N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 119505747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).