4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride

C14H23ClN2O3 — CID 120586784

IUPAC4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)CC(CN)OC)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-16(14(17)8-13(9-15)19-3)10-11-4-6-12(18-2)7-5-11;/h4-7,13H,8-10,15H2,1-3H3;1H
InChIKeyDKELATBTXCPHHX-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.44
Rot. Bonds7

About 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride

4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride (PubChem CID 120586784) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
PubChem CID120586784
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
SMILESCOc1ccc(CN(C)C(=O)CC(CN)OC)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-16(14(17)8-13(9-15)19-3)10-11-4-6-12(18-2)7-5-11;/h4-7,13H,8-10,15H2,1-3H3;1H
InChIKeyDKELATBTXCPHHX-UHFFFAOYSA-N
XLogP1.44
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride 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-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
CID 120589966
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
5-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012231
4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120597638
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107024320
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 80542826
4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120592661
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride (CID 120586784) is 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride is COc1ccc(CN(C)C(=O)CC(CN)OC)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride?
The InChIKey is DKELATBTXCPHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-16(14(17)8-13(9-15)19-3)10-11-4-6-12(18-2)7-5-11;/h4-7,13H,8-10,15H2,1-3H3;1H.
What are the key properties of 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride?
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 120586784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).