N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide

C18H26N2O4 — CID 136576718

IUPACN-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCN1C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H26N2O4/c1-5-12(2)19-17(21)15-7-6-10-20(15)18(22)14-9-8-13(23-3)11-16(14)24-4/h8-9,11-12,15H,5-7,10H2,1-4H3,(H,19,21)
InChIKeyWXMWRCDSWJYRBM-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.22
Rot. Bonds6

About N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide

N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 136576718) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID136576718
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1CCCN1C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H26N2O4/c1-5-12(2)19-17(21)15-7-6-10-20(15)18(22)14-9-8-13(23-3)11-16(14)24-4/h8-9,11-12,15H,5-7,10H2,1-4H3,(H,19,21)
InChIKeyWXMWRCDSWJYRBM-UHFFFAOYSA-N
XLogP2.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 120945991
(2R)-N-(3-benzamidopropyl)-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide
CID 42878811
[1-(2,4-dimethoxybenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491871
[2-(aminomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 119467572
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275224
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275225
[2-(bromomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 80659839
phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
1-(2-fluoro-4-methoxybenzoyl)pyrrolidine-2-carbothioamide
CID 102883167
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451
(2S)-1-(2-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 110834780

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide (CID 136576718) is N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide is CCC(C)NC(=O)C1CCCN1C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is WXMWRCDSWJYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-12(2)19-17(21)15-7-6-10-20(15)18(22)14-9-8-13(23-3)11-16(14)24-4/h8-9,11-12,15H,5-7,10H2,1-4H3,(H,19,21).
What are the key properties of N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide?
N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136576718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).