2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide

C21H28N2O3 — CID 87020616

IUPAC2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCC3CCCO3)cc2)c(C)n1C(C)C
InChIInChI=1S/C21H28N2O3/c1-14(2)23-15(3)12-20(16(23)4)21(24)22-17-7-9-18(10-8-17)26-13-19-6-5-11-25-19/h7-10,12,14,19H,5-6,11,13H2,1-4H3,(H,22,24)
InChIKeyODCRJUHMWKFRNA-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.50
Rot. Bonds6

About 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide

2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 87020616) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID87020616
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCC3CCCO3)cc2)c(C)n1C(C)C
InChIInChI=1S/C21H28N2O3/c1-14(2)23-15(3)12-20(16(23)4)21(24)22-17-7-9-18(10-8-17)26-13-19-6-5-11-25-19/h7-10,12,14,19H,5-6,11,13H2,1-4H3,(H,22,24)
InChIKeyODCRJUHMWKFRNA-UHFFFAOYSA-N
XLogP4.50
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
1,6-dimethyl-N-[4-(oxan-2-ylmethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 131893315
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
methyl 3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoate
CID 41442893
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide (CID 87020616) is 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OCC3CCCO3)cc2)c(C)n1C(C)C.
What is the InChIKey of 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is ODCRJUHMWKFRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(2)23-15(3)12-20(16(23)4)21(24)22-17-7-9-18(10-8-17)26-13-19-6-5-11-25-19/h7-10,12,14,19H,5-6,11,13H2,1-4H3,(H,22,24).
What are the key properties of 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide?
2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(oxolan-2-ylmethoxy)phenyl]-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 87020616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).