N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide

C14H21ClN2O2 — CID 109015588

IUPACN-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
SMILESCOCCCNCCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H21ClN2O2/c1-11-4-5-12(15)10-13(11)17-14(18)6-8-16-7-3-9-19-2/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyQKXOWDRNHHJFSE-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.60
Rot. Bonds8

About N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide

N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide (PubChem CID 109015588) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
PubChem CID109015588
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide
SMILESCOCCCNCCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C14H21ClN2O2/c1-11-4-5-12(15)10-13(11)17-14(18)6-8-16-7-3-9-19-2/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyQKXOWDRNHHJFSE-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.60
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-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(5-chloro-2-methylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024857
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]acetamide
CID 106255250

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide (CID 109015588) is N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide is COCCCNCCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide?
The InChIKey is QKXOWDRNHHJFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11-4-5-12(15)10-13(11)17-14(18)6-8-16-7-3-9-19-2/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide?
N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide has a molecular weight of 284.79 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(3-methoxypropylamino)propanamide is sourced from PubChem (CID 109015588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).