N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide

C25H23N3O3 — CID 7998970

IUPACN-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C25H23N3O3/c1-2-31-21-13-11-20(12-14-21)28-25(30)17-7-9-19(10-8-17)27-24(29)15-18-16-26-23-6-4-3-5-22(18)23/h3-14,16,26H,2,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyFBTJKUICPNQBGI-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.00
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide (PubChem CID 7998970) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
PubChem CID7998970
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1
InChIInChI=1S/C25H23N3O3/c1-2-31-21-13-11-20(12-14-21)28-25(30)17-7-9-19(10-8-17)27-24(29)15-18-16-26-23-6-4-3-5-22(18)23/h3-14,16,26H,2,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyFBTJKUICPNQBGI-UHFFFAOYSA-N
XLogP5.00
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 2449729
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345
N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112999594
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-(1H-indol-3-yl)-N-[4-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982718
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
CID 113000397
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 55486447
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
2-(diethylamino)ethyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 8833412

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide (CID 7998970) is N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide?
The InChIKey is FBTJKUICPNQBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-2-31-21-13-11-20(12-14-21)28-25(30)17-7-9-19(10-8-17)27-24(29)15-18-16-26-23-6-4-3-5-22(18)23/h3-14,16,26H,2,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide has a molecular weight of 413.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 7998970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).