propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C23H30N2O5 — CID 33082183

IUPACpropan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOc1ccc(OC)c(CN(C(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)C2CC2)c1
InChIInChI=1S/C23H30N2O5/c1-13(2)30-23(27)20-14(3)21(24-15(20)4)22(26)25(17-7-8-17)12-16-11-18(28-5)9-10-19(16)29-6/h9-11,13,17,24H,7-8,12H2,1-6H3
InChIKeyDMRIVJDLWWKNES-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.02
Rot. Bonds8

About propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 33082183) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID33082183
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Namepropan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOc1ccc(OC)c(CN(C(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)C2CC2)c1
InChIInChI=1S/C23H30N2O5/c1-13(2)30-23(27)20-14(3)21(24-15(20)4)22(26)25(17-7-8-17)12-16-11-18(28-5)9-10-19(16)29-6/h9-11,13,17,24H,7-8,12H2,1-6H3
InChIKeyDMRIVJDLWWKNES-UHFFFAOYSA-N
XLogP4.02
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51206692
methyl 5-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18151203
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
propan-2-yl 5-[2-[cyclohexyl(methyl)amino]ethyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 60579748
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55830001
2-O-[(2,5-dimethoxyphenyl)methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 8572870
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 33082183) is propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COc1ccc(OC)c(CN(C(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)C2CC2)c1.
What is the InChIKey of propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is DMRIVJDLWWKNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-13(2)30-23(27)20-14(3)21(24-15(20)4)22(26)25(17-7-8-17)12-16-11-18(28-5)9-10-19(16)29-6/h9-11,13,17,24H,7-8,12H2,1-6H3.
What are the key properties of propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 414.50 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 33082183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).