3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride

C18H23ClN2O2 — CID 119777822

IUPAC3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCc1ccccc1Oc1ccccc1CNC(=O)CC(C)N.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-7-3-5-9-16(13)22-17-10-6-4-8-15(17)12-20-18(21)11-14(2)19;/h3-10,14H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyHLWPQSJZZDJIBX-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.56
Rot. Bonds6

About 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride

3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119777822) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
PubChem CID119777822
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCc1ccccc1Oc1ccccc1CNC(=O)CC(C)N.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-7-3-5-9-16(13)22-17-10-6-4-8-15(17)12-20-18(21)11-14(2)19;/h3-10,14H,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyHLWPQSJZZDJIBX-UHFFFAOYSA-N
XLogP3.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide;hydrochloride
CID 120562423
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]pentanamide
CID 120562424
3-amino-2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 120500571
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
1-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 119777807
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865260
(2S)-2-amino-N'-[(2-methylphenyl)methyl]butanediamide
CID 58987437
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride (CID 119777822) is 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride is Cc1ccccc1Oc1ccccc1CNC(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is HLWPQSJZZDJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-13-7-3-5-9-16(13)22-17-10-6-4-8-15(17)12-20-18(21)11-14(2)19;/h3-10,14H,11-12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride?
3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119777822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).