N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide

C29H25N3O3 — CID 171059897

IUPACN-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(C(=O)NCCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C29H25N3O3/c33-28(19-35-27-10-4-7-20-5-1-2-8-25(20)27)32-23-13-11-22(12-14-23)29(34)31-17-15-21-6-3-9-26-24(21)16-18-30-26/h1-14,16,18,30H,15,17,19H2,(H,31,34)(H,32,33)
InChIKeyYDNOHIMQEDOASH-UHFFFAOYSA-N
MW463.54 g/mol
LogP5.31
Rot. Bonds8

About N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide

N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide (PubChem CID 171059897) has the molecular formula C29H25N3O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide
PubChem CID171059897
Molecular FormulaC29H25N3O3
Molecular Weight463.54 g/mol
Exact Mass463.19
IUPAC NameN-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide
SMILESO=C(COc1cccc2ccccc12)Nc1ccc(C(=O)NCCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C29H25N3O3/c33-28(19-35-27-10-4-7-20-5-1-2-8-25(20)27)32-23-13-11-22(12-14-23)29(34)31-17-15-21-6-3-9-26-24(21)16-18-30-26/h1-14,16,18,30H,15,17,19H2,(H,31,34)(H,32,33)
InChIKeyYDNOHIMQEDOASH-UHFFFAOYSA-N
XLogP5.31
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062341
2-(1H-indol-4-yloxy)-N-(2-phenylethyl)acetamide
CID 42506850
N-(4-fluorophenyl)-2-[(2-naphthalen-1-yloxyacetyl)amino]acetamide
CID 7851076
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
CID 3297600
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide
CID 87005359
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
2-naphthalen-1-yloxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 94848502

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide?
The IUPAC name of N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide (CID 171059897) is N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide.
What is the SMILES notation for N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide?
The canonical SMILES for N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide is O=C(COc1cccc2ccccc12)Nc1ccc(C(=O)NCCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide?
The InChIKey is YDNOHIMQEDOASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3/c33-28(19-35-27-10-4-7-20-5-1-2-8-25(20)27)32-23-13-11-22(12-14-23)29(34)31-17-15-21-6-3-9-26-24(21)16-18-30-26/h1-14,16,18,30H,15,17,19H2,(H,31,34)(H,32,33).
What are the key properties of N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide?
N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide has a molecular weight of 463.54 g/mol, XLogP of 5.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide is sourced from PubChem (CID 171059897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).