2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C17H27N3O — CID 80555000

IUPAC2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CN(C)C(=O)C(C)(C)c2ccc(N)cc2)C1
InChIInChI=1S/C17H27N3O/c1-17(2,14-5-7-15(18)8-6-14)16(21)20(4)12-13-9-10-19(3)11-13/h5-8,13H,9-12,18H2,1-4H3
InChIKeyVCZYQFWOXMMGDA-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.96
Rot. Bonds4

About 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 80555000) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID80555000
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCN1CCC(CN(C)C(=O)C(C)(C)c2ccc(N)cc2)C1
InChIInChI=1S/C17H27N3O/c1-17(2,14-5-7-15(18)8-6-14)16(21)20(4)12-13-9-10-19(3)11-13/h5-8,13H,9-12,18H2,1-4H3
InChIKeyVCZYQFWOXMMGDA-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(cyclopropylmethyl)-N,2-dimethylpropanamide
CID 80556761
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840
2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 80555110
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
CID 80503099
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-(4-aminophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 80555880
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
CID 80556809
2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
CID 80556205
2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 80556874

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 80555000) is 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CN1CCC(CN(C)C(=O)C(C)(C)c2ccc(N)cc2)C1.
What is the InChIKey of 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is VCZYQFWOXMMGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-17(2,14-5-7-15(18)8-6-14)16(21)20(4)12-13-9-10-19(3)11-13/h5-8,13H,9-12,18H2,1-4H3.
What are the key properties of 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 80555000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).