2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride

C17H28Cl2N2O — CID 50986772

IUPAC2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride
SMILESCCCCNC(CCCC)C(=O)Nc1c(C)cccc1Cl.[Cl-].[H+]
InChIInChI=1S/C17H27ClN2O.ClH/c1-4-6-11-15(19-12-7-5-2)17(21)20-16-13(3)9-8-10-14(16)18;/h8-10,15,19H,4-7,11-12H2,1-3H3,(H,20,21);1H
InChIKeyNWCGVHWYNMIOCJ-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.65
Rot. Bonds9

About 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride

2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride (PubChem CID 50986772) has the molecular formula C17H28Cl2N2O and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride.

Molecular Properties

Compound Name2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride
PubChem CID50986772
Molecular FormulaC17H28Cl2N2O
Molecular Weight347.33 g/mol
Exact Mass346.16
IUPAC Name2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride
SMILESCCCCNC(CCCC)C(=O)Nc1c(C)cccc1Cl.[Cl-].[H+]
InChIInChI=1S/C17H27ClN2O.ClH/c1-4-6-11-15(19-12-7-5-2)17(21)20-16-13(3)9-8-10-14(16)18;/h8-10,15,19H,4-7,11-12H2,1-3H3,(H,20,21);1H
InChIKeyNWCGVHWYNMIOCJ-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylhexanamide
CID 3060764
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
5-[(2-chloro-6-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686781
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
2-[[(2S)-butan-2-yl]amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 124514697
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757028
(2S)-2-amino-N-(2-fluoro-6-methylphenyl)hexanamide
CID 107146650
2-chloro-N-dodecyl-6-methylaniline
CID 66252343

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride?
The IUPAC name of 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride (CID 50986772) is 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride.
What is the SMILES notation for 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride?
The canonical SMILES for 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride is CCCCNC(CCCC)C(=O)Nc1c(C)cccc1Cl.[Cl-].[H+].
What is the InChIKey of 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride?
The InChIKey is NWCGVHWYNMIOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O.ClH/c1-4-6-11-15(19-12-7-5-2)17(21)20-16-13(3)9-8-10-14(16)18;/h8-10,15,19H,4-7,11-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride?
2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride has a molecular weight of 347.33 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-N-(2-chloro-6-methylphenyl)hexanamide;hydron;chloride is sourced from PubChem (CID 50986772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).