2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride

C16H25Cl2N3O — CID 120669933

IUPAC2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCN(C3CC3)C2)cc1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-11-2-4-12(5-3-11)15(17)16(20)18-13-8-9-19(10-13)14-6-7-14;;/h2-5,13-15H,6-10,17H2,1H3,(H,18,20);2*1H
InChIKeyKXWFALKKVHWFNS-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120669933) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120669933
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC2CCN(C3CC3)C2)cc1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-11-2-4-12(5-3-11)15(17)16(20)18-13-8-9-19(10-13)14-6-7-14;;/h2-5,13-15H,6-10,17H2,1H3,(H,18,20);2*1H
InChIKeyKXWFALKKVHWFNS-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 106151639
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
2-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670573
2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-(4-methylphenyl)acetamide
CID 120670298
2-amino-N-(1-cyclopropylsulfonylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120669080
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
2-amino-N-(4,4-dimethylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668551
2-amino-N-(1-butylpiperidin-4-yl)-2-(4-methylphenyl)acetamide
CID 120670008
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
CID 104502509
2-amino-N-(3-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667211

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120669933) is 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NC2CCN(C3CC3)C2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is KXWFALKKVHWFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c1-11-2-4-12(5-3-11)15(17)16(20)18-13-8-9-19(10-13)14-6-7-14;;/h2-5,13-15H,6-10,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120669933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).