ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate

C20H28N4O6 — CID 10693423

IUPACethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate
SMILESCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)OCC)n(COC)c2)n(COC)c1
InChIInChI=1S/C20H28N4O6/c1-5-7-18(25)21-14-8-16(23(10-14)12-28-3)19(26)22-15-9-17(20(27)30-6-2)24(11-15)13-29-4/h8-11H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyWLPMXVZXLSSEKS-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.66
Rot. Bonds11

About ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate

ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate (PubChem CID 10693423) has the molecular formula C20H28N4O6 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate
PubChem CID10693423
Molecular FormulaC20H28N4O6
Molecular Weight420.47 g/mol
Exact Mass420.20
IUPAC Nameethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate
SMILESCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)OCC)n(COC)c2)n(COC)c1
InChIInChI=1S/C20H28N4O6/c1-5-7-18(25)21-14-8-16(23(10-14)12-28-3)19(26)22-15-9-17(20(27)30-6-2)24(11-15)13-29-4/h8-11H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyWLPMXVZXLSSEKS-UHFFFAOYSA-N
XLogP2.66
TPSA112.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate with MolForge

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Related Compounds

ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate
CID 119342719
3-[2-ethoxycarbonyl-4-[[1-(2-methylpropyl)-4-[[1-(2-methylpropyl)-4-nitropyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrol-1-yl]propanoic acid
CID 137411466
ethyl 4-(3-methoxypropanoylamino)benzoate
CID 62590057
ethyl 5-(butanoylamino)-1-benzoselenophene-2-carboxylate
CID 89477917
ethyl 4-[[4-[[4-[[4-(4-aminobutanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxylate
CID 15959167
methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
CID 17202591
3-[2-ethoxycarbonyl-4-[[1-(2-methylpropyl)-4-[[4-nitro-1-(3-phenylpropyl)pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrol-1-yl]propanoic acid
CID 153150626
ethyl 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-1-methylpyrrole-2-carboxylate
CID 119342742
ethyl 1-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]pyrrole-2-carboxylate
CID 90292042
methyl N-[4-(butanoylamino)phenyl]carbamate
CID 47251296
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
ethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611653

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate (CID 10693423) is ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate is CCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)OCC)n(COC)c2)n(COC)c1.
What is the InChIKey of ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate?
The InChIKey is WLPMXVZXLSSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6/c1-5-7-18(25)21-14-8-16(23(10-14)12-28-3)19(26)22-15-9-17(20(27)30-6-2)24(11-15)13-29-4/h8-11H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate?
ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 2.66, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(butanoylamino)-1-(methoxymethyl)pyrrole-2-carbonyl]amino]-1-(methoxymethyl)pyrrole-2-carboxylate is sourced from PubChem (CID 10693423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).