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

C15H25N3O4 — CID 91231638

IUPACN-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide
SMILESCCc1cc(O)n(CCCC(=O)NCCN(C)C(C)=O)c1O
InChIInChI=1S/C15H25N3O4/c1-4-12-10-14(21)18(15(12)22)8-5-6-13(20)16-7-9-17(3)11(2)19/h10,21-22H,4-9H2,1-3H3,(H,16,20)
InChIKeyKQEMXYVQUGFRER-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.84
Rot. Bonds8

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

N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide (PubChem CID 91231638) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide
PubChem CID91231638
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide
SMILESCCc1cc(O)n(CCCC(=O)NCCN(C)C(C)=O)c1O
InChIInChI=1S/C15H25N3O4/c1-4-12-10-14(21)18(15(12)22)8-5-6-13(20)16-7-9-17(3)11(2)19/h10,21-22H,4-9H2,1-3H3,(H,16,20)
InChIKeyKQEMXYVQUGFRER-UHFFFAOYSA-N
XLogP0.84
TPSA94.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Aminopropyl)-1-hexylpyrrole-2,5-diol
CID 53903626
[2,5-dihydroxy-3-(2-methylpropyl)pyrrol-1-yl]methyl-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
CID 54145732
[2,5-dihydroxy-3-(2-methylpropyl)pyrrol-1-yl]methyl-[(2S)-4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
CID 54145733
[2,5-Dihydroxy-3-(2-methylpropyl)pyrrol-1-yl]methyl-[4-methyl-2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphinic acid
CID 54145734
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]-2-methylprop-2-enamide
CID 54146652
1-[2-(3,4-Diaminobutylamino)ethyl]-3-(4-methylhex-2-en-2-yl)pyrrole-2,5-diol
CID 54496087
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-propylpropanamide
CID 90740310
2-(2,5-dihydroxy-1H-pyrrol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 90789362
(2S)-2-(2-hydroxy-4-propylpyrrol-1-yl)butanamide
CID 90802600
3-(2,5-dihydroxy-3-methylpyrrol-1-yl)-N-(6-oxoheptyl)propanamide
CID 90809410
N-[2-[2-[2-[4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanoylamino]ethoxy]ethoxy]ethyl]-2-(3-methoxy-3-methylpentoxy)-2-methylpropanamide
CID 90822953
3-[[3-(2,5-Dihydroxy-3-methylpyrrol-1-yl)-4-(methylamino)-4-oxobutanoyl]amino]propyl-trimethylazanium
CID 90858628

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide?
The IUPAC name of N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide (CID 91231638) is N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide.
What is the SMILES notation for N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide?
The canonical SMILES for N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide is CCc1cc(O)n(CCCC(=O)NCCN(C)C(C)=O)c1O.
What is the InChIKey of N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide?
The InChIKey is KQEMXYVQUGFRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-4-12-10-14(21)18(15(12)22)8-5-6-13(20)16-7-9-17(3)11(2)19/h10,21-22H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide?
N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide has a molecular weight of 311.38 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(methyl)amino]ethyl]-4-(3-ethyl-2,5-dihydroxypyrrol-1-yl)butanamide is sourced from PubChem (CID 91231638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).