2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide

C17H21N3O — CID 81392052

IUPAC2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)c1ccc(N)cc1)c1ccccn1
InChIInChI=1S/C17H21N3O/c1-12(15-6-4-5-11-19-15)20-16(21)17(2,3)13-7-9-14(18)10-8-13/h4-12H,18H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyKNOVQQMVYOOUJA-LBPRGKRZSA-N
MW283.38 g/mol
LogP2.82
Rot. Bonds4

About 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide

2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide (PubChem CID 81392052) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
PubChem CID81392052
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)c1ccc(N)cc1)c1ccccn1
InChIInChI=1S/C17H21N3O/c1-12(15-6-4-5-11-19-15)20-16(21)17(2,3)13-7-9-14(18)10-8-13/h4-12H,18H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyKNOVQQMVYOOUJA-LBPRGKRZSA-N
XLogP2.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
2-amino-2-phenyl-N-(1-pyridin-2-ylethyl)propanamide;dihydrochloride
CID 120594633
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81394028
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
(E)-3-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]prop-2-enamide
CID 115344795
2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332
2,2,3,3-tetrafluoro-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 103733324
(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 113353567
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide (CID 81392052) is 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide is C[C@H](NC(=O)C(C)(C)c1ccc(N)cc1)c1ccccn1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
The InChIKey is KNOVQQMVYOOUJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(15-6-4-5-11-19-15)20-16(21)17(2,3)13-7-9-14(18)10-8-13/h4-12H,18H2,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide is sourced from PubChem (CID 81392052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).