2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide

C17H21N3O — CID 91777267

IUPAC2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide
SMILESCNC(C(=O)NCCCc1ccncc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-18-16(15-7-3-2-4-8-15)17(21)20-11-5-6-14-9-12-19-13-10-14/h2-4,7-10,12-13,16,18H,5-6,11H2,1H3,(H,20,21)
InChIKeyHYCUNLPJUZPUEN-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.09
Rot. Bonds7

About 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide

2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide (PubChem CID 91777267) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide
PubChem CID91777267
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide
SMILESCNC(C(=O)NCCCc1ccncc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-18-16(15-7-3-2-4-8-15)17(21)20-11-5-6-14-9-12-19-13-10-14/h2-4,7-10,12-13,16,18H,5-6,11H2,1H3,(H,20,21)
InChIKeyHYCUNLPJUZPUEN-UHFFFAOYSA-N
XLogP2.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
2-(carbamoylamino)-N-(4-hydroxybutyl)-2-phenylacetamide
CID 106842975
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
2-(3-bromophenyl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56932437
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133
1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976958

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide?
The IUPAC name of 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide (CID 91777267) is 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide is CNC(C(=O)NCCCc1ccncc1)c1ccccc1.
What is the InChIKey of 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide?
The InChIKey is HYCUNLPJUZPUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-16(15-7-3-2-4-8-15)17(21)20-11-5-6-14-9-12-19-13-10-14/h2-4,7-10,12-13,16,18H,5-6,11H2,1H3,(H,20,21).
What are the key properties of 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide?
2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenyl-N-(3-pyridin-4-ylpropyl)acetamide is sourced from PubChem (CID 91777267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).