4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride

C14H23ClN2O3 — CID 120588543

IUPAC4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCOCc1ccc(CNC(=O)CC(CN)OC)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-18-10-12-5-3-11(4-6-12)9-16-14(17)7-13(8-15)19-2;/h3-6,13H,7-10,15H2,1-2H3,(H,16,17);1H
InChIKeyYSGBDLRVCMYLFJ-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.23
Rot. Bonds8

About 4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride (PubChem CID 120588543) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
PubChem CID120588543
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCOCc1ccc(CNC(=O)CC(CN)OC)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-18-10-12-5-3-11(4-6-12)9-16-14(17)7-13(8-15)19-2;/h3-6,13H,7-10,15H2,1-2H3,(H,16,17);1H
InChIKeyYSGBDLRVCMYLFJ-UHFFFAOYSA-N
XLogP1.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120594872
4-amino-N-[(4-bromo-3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120590647
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
CID 120597557
4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588541
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 120591918
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
4-amino-3-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 120587440

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride (CID 120588543) is 4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride is COCc1ccc(CNC(=O)CC(CN)OC)cc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is YSGBDLRVCMYLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-18-10-12-5-3-11(4-6-12)9-16-14(17)7-13(8-15)19-2;/h3-6,13H,7-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.23, 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-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 120588543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).