N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide

C18H26N2O4 — CID 100972174

IUPACN-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)17(22)20-8-6-7-15(20)16(21)19-12-9-13(23-4)11-14(10-12)24-5/h9-11,15H,6-8H2,1-5H3,(H,19,21)
InChIKeyKXKBAYJHQHOYAV-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.68
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide

N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 100972174) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID100972174
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cc(OC)c1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)17(22)20-8-6-7-15(20)16(21)19-12-9-13(23-4)11-14(10-12)24-5/h9-11,15H,6-8H2,1-5H3,(H,19,21)
InChIKeyKXKBAYJHQHOYAV-UHFFFAOYSA-N
XLogP2.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(3,4,5-trichlorophenyl)pyrrolidine-2-carboxamide
CID 100972177
N-(3,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406462
1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219752
1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 47184320
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
1-(2,2-dimethylpropanoyl)-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 47050528
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 55634906
phenyl (2S)-2-[(3-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 774408

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide (CID 100972174) is N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide is COc1cc(NC(=O)C2CCCN2C(=O)C(C)(C)C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is KXKBAYJHQHOYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,3)17(22)20-8-6-7-15(20)16(21)19-12-9-13(23-4)11-14(10-12)24-5/h9-11,15H,6-8H2,1-5H3,(H,19,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide?
N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 100972174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).