2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide

C17H25N3O — CID 60975482

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C17H25N3O/c1-13-2-4-15(5-3-13)19-17(21)11-18-10-14-8-9-20(12-14)16-6-7-16/h2-5,14,16,18H,6-12H2,1H3,(H,19,21)
InChIKeyIPSDHZYHWQDVIK-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.01
Rot. Bonds6

About 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide

2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 60975482) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide
PubChem CID60975482
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C17H25N3O/c1-13-2-4-15(5-3-13)19-17(21)11-18-10-14-8-9-20(12-14)16-6-7-16/h2-5,14,16,18H,6-12H2,1H3,(H,19,21)
InChIKeyIPSDHZYHWQDVIK-UHFFFAOYSA-N
XLogP2.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111065625
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-pentan-3-ylacetamide
CID 61487173
2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110754744
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 60856879
2-[(2-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)acetamide
CID 64911376
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
1-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-(4-methylphenyl)methanamine
CID 60856973
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide (CID 60975482) is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNCC2CCN(C3CC3)C2)cc1.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is IPSDHZYHWQDVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-2-4-15(5-3-13)19-17(21)11-18-10-14-8-9-20(12-14)16-6-7-16/h2-5,14,16,18H,6-12H2,1H3,(H,19,21).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide?
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60975482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).