1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide

C16H25N3O — CID 106317853

IUPAC1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(CN)c2ccc(C)cc2)C1
InChIInChI=1S/C16H25N3O/c1-12-4-6-13(7-5-12)14(10-17)19-9-8-16(2,11-19)15(20)18-3/h4-7,14H,8-11,17H2,1-3H3,(H,18,20)
InChIKeyDZLAGIOMUSHITO-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.45
Rot. Bonds4

About 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317853) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317853
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(CN)c2ccc(C)cc2)C1
InChIInChI=1S/C16H25N3O/c1-12-4-6-13(7-5-12)14(10-17)19-9-8-16(2,11-19)15(20)18-3/h4-7,14H,8-11,17H2,1-3H3,(H,18,20)
InChIKeyDZLAGIOMUSHITO-UHFFFAOYSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-methylphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355396
1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317859
1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318151
4-methyl-1-[1-(4-methylphenyl)propyl]piperidine-4-carboxylic acid
CID 65065296
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322633
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317790
N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide
CID 106319174
1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317794
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
1-[4-(aminomethyl)-2-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319231

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317853) is 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(CN)c2ccc(C)cc2)C1.
What is the InChIKey of 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is DZLAGIOMUSHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-4-6-13(7-5-12)14(10-17)19-9-8-16(2,11-19)15(20)18-3/h4-7,14H,8-11,17H2,1-3H3,(H,18,20).
What are the key properties of 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).