4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride

C14H25Cl2N3O2 — CID 120594933

IUPAC4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCCN(C)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H23N3O2.2ClH/c1-17(12-6-4-3-5-7-12)9-8-16-14(18)10-13(11-15)19-2;;/h3-7,13H,8-11,15H2,1-2H3,(H,16,18);2*1H
InChIKeyLFQUMMKTPAMNQE-UHFFFAOYSA-N
MW338.28 g/mol
LogP1.45
Rot. Bonds8

About 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride (PubChem CID 120594933) has the molecular formula C14H25Cl2N3O2 and a molecular weight of 338.28 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
PubChem CID120594933
Molecular FormulaC14H25Cl2N3O2
Molecular Weight338.28 g/mol
Exact Mass337.13
IUPAC Name4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCCN(C)c1ccccc1.Cl.Cl
InChIInChI=1S/C14H23N3O2.2ClH/c1-17(12-6-4-3-5-7-12)9-8-16-14(18)10-13(11-15)19-2;;/h3-7,13H,8-11,15H2,1-2H3,(H,16,18);2*1H
InChIKeyLFQUMMKTPAMNQE-UHFFFAOYSA-N
XLogP1.45
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride
CID 120595850
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-N-[3-(benzenesulfonyl)propyl]-3-methoxybutanamide;hydrochloride
CID 120590590
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
3-amino-N-[3-(N-methylanilino)propyl]butanamide
CID 60835666
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
4-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methoxybutanamide;dihydrochloride
CID 120586284
4-amino-3-methoxy-N-[2-(2-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120589848

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride (CID 120594933) is 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride is COC(CN)CC(=O)NCCN(C)c1ccccc1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
The InChIKey is LFQUMMKTPAMNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.2ClH/c1-17(12-6-4-3-5-7-12)9-8-16-14(18)10-13(11-15)19-2;;/h3-7,13H,8-11,15H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride has a molecular weight of 338.28 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 120594933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).