2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide

C24H21N3O2 — CID 55981651

IUPAC2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C24H21N3O2/c28-23(15-19-9-5-8-18-7-1-2-12-22(18)19)25-17-24(29)26-20-10-6-11-21(16-20)27-13-3-4-14-27/h1-14,16H,15,17H2,(H,25,28)(H,26,29)
InChIKeyWVPXOQUIPYTFHA-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.93
Rot. Bonds6

About 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide

2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide (PubChem CID 55981651) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide
PubChem CID55981651
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C24H21N3O2/c28-23(15-19-9-5-8-18-7-1-2-12-22(18)19)25-17-24(29)26-20-10-6-11-21(16-20)27-13-3-4-14-27/h1-14,16H,15,17H2,(H,25,28)(H,26,29)
InChIKeyWVPXOQUIPYTFHA-UHFFFAOYSA-N
XLogP3.93
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzamide
CID 51165469
N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55959917
N-[2-[4-(dimethylamino)-3,5-difluoroanilino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55863046
3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
CID 61248263
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-(3-fluoroanilino)-2-oxoethyl]naphthalene-1-carboxamide
CID 42765993
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7779976
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
N-methyl-3-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 10914143
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide (CID 55981651) is 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide is O=C(Cc1cccc2ccccc12)NCC(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide?
The InChIKey is WVPXOQUIPYTFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23(15-19-9-5-8-18-7-1-2-12-22(18)19)25-17-24(29)26-20-10-6-11-21(16-20)27-13-3-4-14-27/h1-14,16H,15,17H2,(H,25,28)(H,26,29).
What are the key properties of 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide?
2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide is sourced from PubChem (CID 55981651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).