1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide

C23H21N3O3 — CID 34241101

IUPAC1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide
SMILESO=C(CNC(=O)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C23H21N3O3/c27-22(24-13-18-9-6-12-29-18)14-25-23(28)20-16-26(15-17-7-2-1-3-8-17)21-11-5-4-10-19(20)21/h1-12,16H,13-15H2,(H,24,27)(H,25,28)
InChIKeyABDDSLXRIDGKTC-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.33
Rot. Bonds7

About 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide

1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide (PubChem CID 34241101) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide
PubChem CID34241101
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide
SMILESO=C(CNC(=O)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C23H21N3O3/c27-22(24-13-18-9-6-12-29-18)14-25-23(28)20-16-26(15-17-7-2-1-3-8-17)21-11-5-4-10-19(20)21/h1-12,16H,13-15H2,(H,24,27)(H,25,28)
InChIKeyABDDSLXRIDGKTC-UHFFFAOYSA-N
XLogP3.33
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-4-phenylbutanamide
CID 3986861
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 1089001
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
N-[(1-benzylindol-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 124818061
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758
2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30039321

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide (CID 34241101) is 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide is O=C(CNC(=O)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1.
What is the InChIKey of 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide?
The InChIKey is ABDDSLXRIDGKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(24-13-18-9-6-12-29-18)14-25-23(28)20-16-26(15-17-7-2-1-3-8-17)21-11-5-4-10-19(20)21/h1-12,16H,13-15H2,(H,24,27)(H,25,28).
What are the key properties of 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide?
1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 34241101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).