N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide

C16H16N2O3 — CID 110788529

IUPACN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
SMILESCN1C(=O)Cc2cc(CCNC(=O)c3ccco3)ccc21
InChIInChI=1S/C16H16N2O3/c1-18-13-5-4-11(9-12(13)10-15(18)19)6-7-17-16(20)14-3-2-8-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,17,20)
InChIKeyBEFIAXUEQDPYNL-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.77
Rot. Bonds4

About N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide

N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide (PubChem CID 110788529) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
PubChem CID110788529
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide
SMILESCN1C(=O)Cc2cc(CCNC(=O)c3ccco3)ccc21
InChIInChI=1S/C16H16N2O3/c1-18-13-5-4-11(9-12(13)10-15(18)19)6-7-17-16(20)14-3-2-8-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,17,20)
InChIKeyBEFIAXUEQDPYNL-UHFFFAOYSA-N
XLogP1.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]furan-2-carboxamide
CID 110788700
2-(1-methyl-2-oxo-3H-indol-5-yl)-N-(2-phenylethyl)acetamide
CID 110768281
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]-2-oxoacetic acid
CID 115141454
1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
CID 110775797
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110788570
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110801908
1-methyl-5-[2-(propan-2-ylamino)ethyl]-3H-indol-2-one
CID 82475334
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795482
2-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethylamino]acetamide
CID 115260099
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide (CID 110788529) is N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide is CN1C(=O)Cc2cc(CCNC(=O)c3ccco3)ccc21.
What is the InChIKey of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide?
The InChIKey is BEFIAXUEQDPYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18-13-5-4-11(9-12(13)10-15(18)19)6-7-17-16(20)14-3-2-8-21-14/h2-5,8-9H,6-7,10H2,1H3,(H,17,20).
What are the key properties of N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide?
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110788529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).