methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate

C19H24N2O3 — CID 3719108

IUPACmethyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate
SMILESCCCn1c(C)c(C(N)=O)c(-c2ccc(C(=O)OC)cc2)c1CC
InChIInChI=1S/C19H24N2O3/c1-5-11-21-12(3)16(18(20)22)17(15(21)6-2)13-7-9-14(10-8-13)19(23)24-4/h7-10H,5-6,11H2,1-4H3,(H2,20,22)
InChIKeyPONYXVHABWNCAK-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.32
Rot. Bonds6

About methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate

methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate (PubChem CID 3719108) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate
PubChem CID3719108
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate
SMILESCCCn1c(C)c(C(N)=O)c(-c2ccc(C(=O)OC)cc2)c1CC
InChIInChI=1S/C19H24N2O3/c1-5-11-21-12(3)16(18(20)22)17(15(21)6-2)13-7-9-14(10-8-13)19(23)24-4/h7-10H,5-6,11H2,1-4H3,(H2,20,22)
InChIKeyPONYXVHABWNCAK-UHFFFAOYSA-N
XLogP3.32
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[4-carbamoyl-2-ethyl-1-(3-hydroxypropyl)-5-methylpyrrol-3-yl]benzoate
CID 3781922
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-prop-2-enylpyrrol-3-yl)benzoate
CID 3678041
methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate
CID 3740968
methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]benzoate
CID 3854944
methyl 4-(4-carbamoyl-2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)benzoate
CID 3549539
1-butyl-5-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3773578
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
4-(4-cyanophenyl)-2-methyl-1,5-dipropylpyrrole-3-carboxamide
CID 5019028
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3843034
5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3696850

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate?
The IUPAC name of methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate (CID 3719108) is methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate.
What is the SMILES notation for methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate?
The canonical SMILES for methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate is CCCn1c(C)c(C(N)=O)c(-c2ccc(C(=O)OC)cc2)c1CC.
What is the InChIKey of methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate?
The InChIKey is PONYXVHABWNCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-11-21-12(3)16(18(20)22)17(15(21)6-2)13-7-9-14(10-8-13)19(23)24-4/h7-10H,5-6,11H2,1-4H3,(H2,20,22).
What are the key properties of methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate?
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate has a molecular weight of 328.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate is sourced from PubChem (CID 3719108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).