N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide

C19H25N3O — CID 109001500

IUPACN-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNCCCc1ccccc1
InChIInChI=1S/C19H25N3O/c1-22(15-11-18-9-13-20-14-10-18)19(23)16-21-12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,13-14,21H,5,8,11-12,15-16H2,1H3
InChIKeyJVBNFZTXHLNOGB-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.30
Rot. Bonds9

About N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide

N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 109001500) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID109001500
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNCCCc1ccccc1
InChIInChI=1S/C19H25N3O/c1-22(15-11-18-9-13-20-14-10-18)19(23)16-21-12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,13-14,21H,5,8,11-12,15-16H2,1H3
InChIKeyJVBNFZTXHLNOGB-UHFFFAOYSA-N
XLogP2.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026028
N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
CID 79287307
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993704
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide (CID 109001500) is N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)CNCCCc1ccccc1.
What is the InChIKey of N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is JVBNFZTXHLNOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-22(15-11-18-9-13-20-14-10-18)19(23)16-21-12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,13-14,21H,5,8,11-12,15-16H2,1H3.
What are the key properties of N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide?
N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 109001500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).