2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide

C17H23N3O3 — CID 173174504

IUPAC2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide
SMILESCc1cc(NC(=O)C(C)C(N)=O)ccc1C(=O)N1CCCC1C
InChIInChI=1S/C17H23N3O3/c1-10-9-13(19-16(22)12(3)15(18)21)6-7-14(10)17(23)20-8-4-5-11(20)2/h6-7,9,11-12H,4-5,8H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeyFNXPDSDRKLEESM-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.68
Rot. Bonds4

About 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide

2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide (PubChem CID 173174504) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide.

Molecular Properties

Compound Name2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide
PubChem CID173174504
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide
SMILESCc1cc(NC(=O)C(C)C(N)=O)ccc1C(=O)N1CCCC1C
InChIInChI=1S/C17H23N3O3/c1-10-9-13(19-16(22)12(3)15(18)21)6-7-14(10)17(23)20-8-4-5-11(20)2/h6-7,9,11-12H,4-5,8H2,1-3H3,(H2,18,21)(H,19,22)
InChIKeyFNXPDSDRKLEESM-UHFFFAOYSA-N
XLogP1.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
(5-chlorothiophen-2-yl) N-[2-methyl-1-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]carbamate
CID 91447784
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120621032
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119283706
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 119949567
(2S,5R)-5-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 120786482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide?
The IUPAC name of 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide (CID 173174504) is 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide.
What is the SMILES notation for 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide?
The canonical SMILES for 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide is Cc1cc(NC(=O)C(C)C(N)=O)ccc1C(=O)N1CCCC1C.
What is the InChIKey of 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide?
The InChIKey is FNXPDSDRKLEESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-9-13(19-16(22)12(3)15(18)21)6-7-14(10)17(23)20-8-4-5-11(20)2/h6-7,9,11-12H,4-5,8H2,1-3H3,(H2,18,21)(H,19,22).
What are the key properties of 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide?
2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide has a molecular weight of 317.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-methyl-4-(2-methylpyrrolidine-1-carbonyl)phenyl]propanediamide is sourced from PubChem (CID 173174504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).