2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride

C19H27Cl2N3O — CID 21293880

IUPAC2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride
SMILESCCCCNCC(=O)NC(Cc1ccccc1)c1ccccn1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-2-3-12-20-15-19(23)22-18(17-11-7-8-13-21-17)14-16-9-5-4-6-10-16;;/h4-11,13,18,20H,2-3,12,14-15H2,1H3,(H,22,23);2*1H
InChIKeyQVAIODSRGLBCJX-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.71
Rot. Bonds9

About 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride

2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride (PubChem CID 21293880) has the molecular formula C19H27Cl2N3O and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride
PubChem CID21293880
Molecular FormulaC19H27Cl2N3O
Molecular Weight384.35 g/mol
Exact Mass383.15
IUPAC Name2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride
SMILESCCCCNCC(=O)NC(Cc1ccccc1)c1ccccn1.Cl.Cl
InChIInChI=1S/C19H25N3O.2ClH/c1-2-3-12-20-15-19(23)22-18(17-11-7-8-13-21-17)14-16-9-5-4-6-10-16;;/h4-11,13,18,20H,2-3,12,14-15H2,1H3,(H,22,23);2*1H
InChIKeyQVAIODSRGLBCJX-UHFFFAOYSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.71
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

N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-phenylmethoxybutanamide
CID 86956430
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
3-methyl-1-[[2-(4-methylphenyl)-1-pyridin-2-ylethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122002520
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 96539654
N-[2-(4-methoxyphenyl)-1-pyridin-2-ylethyl]furan-2-carboxamide
CID 21157115

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride (CID 21293880) is 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride is CCCCNCC(=O)NC(Cc1ccccc1)c1ccccn1.Cl.Cl.
What is the InChIKey of 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride?
The InChIKey is QVAIODSRGLBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O.2ClH/c1-2-3-12-20-15-19(23)22-18(17-11-7-8-13-21-17)14-16-9-5-4-6-10-16;;/h4-11,13,18,20H,2-3,12,14-15H2,1H3,(H,22,23);2*1H.
What are the key properties of 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride?
2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride has a molecular weight of 384.35 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 21293880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).