2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide

C17H25N3O — CID 115871526

IUPAC2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC2CC(C)N(C3CC3)C2)cc1
InChIInChI=1S/C17H25N3O/c1-12-9-15(11-20(12)16-7-8-16)19-14-5-3-13(4-6-14)10-17(21)18-2/h3-6,12,15-16,19H,7-11H2,1-2H3,(H,18,21)
InChIKeyGVNYNBSQAMDNBO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.01
Rot. Bonds5

About 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide

2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide (PubChem CID 115871526) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
PubChem CID115871526
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC2CC(C)N(C3CC3)C2)cc1
InChIInChI=1S/C17H25N3O/c1-12-9-15(11-20(12)16-7-8-16)19-14-5-3-13(4-6-14)10-17(21)18-2/h3-6,12,15-16,19H,7-11H2,1-2H3,(H,18,21)
InChIKeyGVNYNBSQAMDNBO-UHFFFAOYSA-N
XLogP2.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(4-iodophenyl)-5-methylpyrrolidin-3-amine
CID 113491638
N-methyl-2-[4-[(3-propan-2-ylcyclobutyl)amino]phenyl]acetamide
CID 103561305
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 115871482
N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide
CID 63335569
(2R)-N-[4-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]phenyl]oxolane-2-carboxamide
CID 98874802
N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide
CID 43713892
2-chloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107678571
N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide
CID 62873267
2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
CID 65074416
4-(aminomethyl)-N-[(3R,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]benzamide
CID 124693465
4-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 115715680
4-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)benzamide;dihydrochloride
CID 119900325

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide (CID 115871526) is 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC2CC(C)N(C3CC3)C2)cc1.
What is the InChIKey of 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide?
The InChIKey is GVNYNBSQAMDNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-9-15(11-20(12)16-7-8-16)19-14-5-3-13(4-6-14)10-17(21)18-2/h3-6,12,15-16,19H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide?
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide has a molecular weight of 287.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 115871526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).