4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide

C20H27N3O4 — CID 91381429

IUPAC4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide
SMILESCCC(=O)N(C)c1ccccc1NC(=O)CCCn1c(O)cc(CC)c1O
InChIInChI=1S/C20H27N3O4/c1-4-14-13-19(26)23(20(14)27)12-8-11-17(24)21-15-9-6-7-10-16(15)22(3)18(25)5-2/h6-7,9-10,13,26-27H,4-5,8,11-12H2,1-3H3,(H,21,24)
InChIKeyHXMKBWCDQIBKFM-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.25
Rot. Bonds8

About 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide

4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide (PubChem CID 91381429) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide
PubChem CID91381429
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide
SMILESCCC(=O)N(C)c1ccccc1NC(=O)CCCn1c(O)cc(CC)c1O
InChIInChI=1S/C20H27N3O4/c1-4-14-13-19(26)23(20(14)27)12-8-11-17(24)21-15-9-6-7-10-16(15)22(3)18(25)5-2/h6-7,9-10,13,26-27H,4-5,8,11-12H2,1-3H3,(H,21,24)
InChIKeyHXMKBWCDQIBKFM-UHFFFAOYSA-N
XLogP3.25
TPSA94.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide?
The IUPAC name of 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide (CID 91381429) is 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide.
What is the SMILES notation for 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide?
The canonical SMILES for 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide is CCC(=O)N(C)c1ccccc1NC(=O)CCCn1c(O)cc(CC)c1O.
What is the InChIKey of 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide?
The InChIKey is HXMKBWCDQIBKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-14-13-19(26)23(20(14)27)12-8-11-17(24)21-15-9-6-7-10-16(15)22(3)18(25)5-2/h6-7,9-10,13,26-27H,4-5,8,11-12H2,1-3H3,(H,21,24).
What are the key properties of 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide?
4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide has a molecular weight of 373.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)-N-[2-[methyl(propanoyl)amino]phenyl]butanamide is sourced from PubChem (CID 91381429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).