methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

C16H26N2O3 — CID 36679757

IUPACmethyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCCN(CCC)C(=O)c1[nH]c(CC)c(C(=O)OC)c1C
InChIInChI=1S/C16H26N2O3/c1-6-9-18(10-7-2)15(19)14-11(4)13(16(20)21-5)12(8-3)17-14/h17H,6-10H2,1-5H3
InChIKeyCILOSSCVHBFDJB-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.93
Rot. Bonds7

About methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 36679757) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID36679757
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namemethyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
SMILESCCCN(CCC)C(=O)c1[nH]c(CC)c(C(=O)OC)c1C
InChIInChI=1S/C16H26N2O3/c1-6-9-18(10-7-2)15(19)14-11(4)13(16(20)21-5)12(8-3)17-14/h17H,6-10H2,1-5H3
InChIKeyCILOSSCVHBFDJB-UHFFFAOYSA-N
XLogP2.93
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethyl-5-[ethyl(2-methylprop-2-enyl)carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31832696
5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole-2-carboxylic acid
CID 2446824
methyl 2-ethyl-5-(ethylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 47123246
methyl 5-[2-(dimethylamino)ethyl-[(2-fluorophenyl)methyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 47794405
methyl 2-ethyl-5-[ethyl-[[(3R)-oxolan-3-yl]methyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 94815157
methyl 5-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 46559038
4-O-methyl 2-O-[2-oxo-2-(prop-2-ynylamino)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 34966093
methyl 2-ethyl-5-[(2-fluorophenyl)methyl-methylcarbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31138635
methyl 5-[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 31282221
methyl 5-[(1-amino-1-oxopropan-2-yl)carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 134045726
methyl 2-ethyl-5-[(3-fluorophenyl)methyl-methylcarbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31236986
methyl 5-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 31448998

Frequently Asked Questions

What is the IUPAC name of methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate (CID 36679757) is methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is CCCN(CCC)C(=O)c1[nH]c(CC)c(C(=O)OC)c1C.
What is the InChIKey of methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is CILOSSCVHBFDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-9-18(10-7-2)15(19)14-11(4)13(16(20)21-5)12(8-3)17-14/h17H,6-10H2,1-5H3.
What are the key properties of methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate?
methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dipropylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 36679757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).