2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide

C16H25N3O — CID 63273840

IUPAC2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
SMILESCN1CCC(CN(C)C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-16(17,14-7-5-4-6-8-14)15(20)19(3)12-13-9-10-18(2)11-13/h4-8,13H,9-12,17H2,1-3H3
InChIKeyRDFIGPRBQLBBTC-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide

2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide (PubChem CID 63273840) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
PubChem CID63273840
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
SMILESCN1CCC(CN(C)C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-16(17,14-7-5-4-6-8-14)15(20)19(3)12-13-9-10-18(2)11-13/h4-8,13H,9-12,17H2,1-3H3
InChIKeyRDFIGPRBQLBBTC-UHFFFAOYSA-N
XLogP1.27
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 80555000
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 79309724
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
N-(cyclopropylmethyl)-2-hydroxy-N-methyl-2,2-diphenylacetamide
CID 110901041
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 91797603
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 63274527
2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 120595489
2-amino-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpropanamide
CID 120588933

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide (CID 63273840) is 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide is CN1CCC(CN(C)C(=O)C(C)(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide?
The InChIKey is RDFIGPRBQLBBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(17,14-7-5-4-6-8-14)15(20)19(3)12-13-9-10-18(2)11-13/h4-8,13H,9-12,17H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide?
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide has a molecular weight of 275.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 63273840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).