N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide

C13H19ClN2O3 — CID 54924434

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H19ClN2O3/c1-15-6-4-5-13(17)16-10-8-11(18-2)9(14)7-12(10)19-3/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyRVRFPANMTMIDHS-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.30
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide (PubChem CID 54924434) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
PubChem CID54924434
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H19ClN2O3/c1-15-6-4-5-13(17)16-10-8-11(18-2)9(14)7-12(10)19-3/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyRVRFPANMTMIDHS-UHFFFAOYSA-N
XLogP2.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
CID 119683375
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,4-dimethylphenoxy)propanamide
CID 55572968
N-[4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 29168982
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide (CID 54924434) is N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide?
The InChIKey is RVRFPANMTMIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-15-6-4-5-13(17)16-10-8-11(18-2)9(14)7-12(10)19-3/h7-8,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide has a molecular weight of 286.76 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 54924434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).