N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride

C15H24ClN3O4 — CID 119820020

IUPACN-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(=O)Nc1cc(OC)cc(OC)c1.Cl
InChIInChI=1S/C15H23N3O4.ClH/c1-16-6-4-5-14(19)17-10-15(20)18-11-7-12(21-2)9-13(8-11)22-3;/h7-9,16H,4-6,10H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyASDJNFLUBOQARO-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.18
Rot. Bonds9

About N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride

N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119820020) has the molecular formula C15H24ClN3O4 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119820020
Molecular FormulaC15H24ClN3O4
Molecular Weight345.83 g/mol
Exact Mass345.15
IUPAC NameN-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NCC(=O)Nc1cc(OC)cc(OC)c1.Cl
InChIInChI=1S/C15H23N3O4.ClH/c1-16-6-4-5-14(19)17-10-15(20)18-11-7-12(21-2)9-13(8-11)22-3;/h7-9,16H,4-6,10H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyASDJNFLUBOQARO-UHFFFAOYSA-N
XLogP1.18
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119820030
N-[2-(3,5-dimethoxyphenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119822601
N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 112998618
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
4-(methylamino)-N-[2-(2,4,6-trimethoxyphenyl)ethyl]butanamide
CID 119778871
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
(2S)-2-amino-N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119820034
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
N-[4-(3,5-dimethoxyphenoxy)phenyl]-2-(methylamino)acetamide
CID 154939563
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride (CID 119820020) is N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NCC(=O)Nc1cc(OC)cc(OC)c1.Cl.
What is the InChIKey of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ASDJNFLUBOQARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4.ClH/c1-16-6-4-5-14(19)17-10-15(20)18-11-7-12(21-2)9-13(8-11)22-3;/h7-9,16H,4-6,10H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride?
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 1.18, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119820020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).