N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide

C17H23N3O3 — CID 91585382

IUPACN-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-n2c(O)ccc2O)cc1
InChIInChI=1S/C17H23N3O3/c1-3-19(4-2)12-11-18-17(23)13-5-7-14(8-6-13)20-15(21)9-10-16(20)22/h5-10,21-22H,3-4,11-12H2,1-2H3,(H,18,23)
InChIKeyWXKDNQLNZPAZGG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.96
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide

N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide (PubChem CID 91585382) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide
PubChem CID91585382
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-n2c(O)ccc2O)cc1
InChIInChI=1S/C17H23N3O3/c1-3-19(4-2)12-11-18-17(23)13-5-7-14(8-6-13)20-15(21)9-10-16(20)22/h5-10,21-22H,3-4,11-12H2,1-2H3,(H,18,23)
InChIKeyWXKDNQLNZPAZGG-UHFFFAOYSA-N
XLogP1.96
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide (CID 91585382) is N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide is CCN(CC)CCNC(=O)c1ccc(-n2c(O)ccc2O)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide?
The InChIKey is WXKDNQLNZPAZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-19(4-2)12-11-18-17(23)13-5-7-14(8-6-13)20-15(21)9-10-16(20)22/h5-10,21-22H,3-4,11-12H2,1-2H3,(H,18,23).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide?
N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide has a molecular weight of 317.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(2,5-dihydroxypyrrol-1-yl)benzamide is sourced from PubChem (CID 91585382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).