N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide

C17H17N3O4 — CID 99790211

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCC(=O)NCc3ccco3)cc2c1
InChIInChI=1S/C17H17N3O4/c1-23-12-4-5-14-11(7-12)8-15(20-14)17(22)19-10-16(21)18-9-13-3-2-6-24-13/h2-8,20H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyULVUPTNEMYAQLU-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 99790211) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID99790211
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCC(=O)NCc3ccco3)cc2c1
InChIInChI=1S/C17H17N3O4/c1-23-12-4-5-14-11(7-12)8-15(20-14)17(22)19-10-16(21)18-9-13-3-2-6-24-13/h2-8,20H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyULVUPTNEMYAQLU-UHFFFAOYSA-N
XLogP1.82
TPSA96.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide
CID 145164512
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 34241355
N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469584
N-(furan-2-ylmethyl)-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxamide
CID 90889256
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
N-(furan-2-ylmethyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205399
N-(furan-2-ylmethyl)-6-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110850471
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 34239440
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 91775860
N-[(2S)-1-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9079883

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide (CID 99790211) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCC(=O)NCc3ccco3)cc2c1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is ULVUPTNEMYAQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-12-4-5-14-11(7-12)8-15(20-14)17(22)19-10-16(21)18-9-13-3-2-6-24-13/h2-8,20H,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 99790211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).