1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide

C17H25N3O3 — CID 154775414

IUPAC1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide
SMILESCOc1ccccc1C(C)(C)CNC(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C17H25N3O3/c1-17(2,13-6-4-5-7-14(13)23-3)11-19-16(22)20-9-8-12(10-20)15(18)21/h4-7,12H,8-11H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeyDTKGJXAAMAHSMF-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.49
Rot. Bonds5

About 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide

1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 154775414) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide
PubChem CID154775414
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide
SMILESCOc1ccccc1C(C)(C)CNC(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C17H25N3O3/c1-17(2,13-6-4-5-7-14(13)23-3)11-19-16(22)20-9-8-12(10-20)15(18)21/h4-7,12H,8-11H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeyDTKGJXAAMAHSMF-UHFFFAOYSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 95579656
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
(3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99626919
1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 56797916
(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide
CID 126447621
1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 110246572
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 78639794
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94577627

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide (CID 154775414) is 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide is COc1ccccc1C(C)(C)CNC(=O)N1CCC(C(N)=O)C1.
What is the InChIKey of 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is DTKGJXAAMAHSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,13-6-4-5-7-14(13)23-3)11-19-16(22)20-9-8-12(10-20)15(18)21/h4-7,12H,8-11H2,1-3H3,(H2,18,21)(H,19,22).
What are the key properties of 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide?
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 154775414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).