4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride

C20H27ClN2O3 — CID 120588541

IUPAC4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCc1ccccc1COCc1ccccc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-24-19(12-21)11-20(23)22-13-17-9-5-6-10-18(17)15-25-14-16-7-3-2-4-8-16;/h2-10,19H,11-15,21H2,1H3,(H,22,23);1H
InChIKeyWPGOGCWJJJGOBM-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.81
Rot. Bonds10

About 4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride (PubChem CID 120588541) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
PubChem CID120588541
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCc1ccccc1COCc1ccccc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-24-19(12-21)11-20(23)22-13-17-9-5-6-10-18(17)15-25-14-16-7-3-2-4-8-16;/h2-10,19H,11-15,21H2,1H3,(H,22,23);1H
InChIKeyWPGOGCWJJJGOBM-UHFFFAOYSA-N
XLogP2.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
CID 97019366
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-sulfamoylpropanamide
CID 154868821
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride (CID 120588541) is 4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride is COC(CN)CC(=O)NCc1ccccc1COCc1ccccc1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is WPGOGCWJJJGOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-24-19(12-21)11-20(23)22-13-17-9-5-6-10-18(17)15-25-14-16-7-3-2-4-8-16;/h2-10,19H,11-15,21H2,1H3,(H,22,23);1H.
What are the key properties of 4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.81, 10 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-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 120588541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).