2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride

C13H20ClN3O3 — CID 119956519

IUPAC2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
SMILESCOCc1ccccc1CNC(=O)C(N)CC(N)=O.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-19-8-10-5-3-2-4-9(10)7-16-13(18)11(14)6-12(15)17;/h2-5,11H,6-8,14H2,1H3,(H2,15,17)(H,16,18);1H
InChIKeyWVVCIANEWRDKMN-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.07
Rot. Bonds7

About 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride

2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride (PubChem CID 119956519) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
PubChem CID119956519
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
SMILESCOCc1ccccc1CNC(=O)C(N)CC(N)=O.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-19-8-10-5-3-2-4-9(10)7-16-13(18)11(14)6-12(15)17;/h2-5,11H,6-8,14H2,1H3,(H2,15,17)(H,16,18);1H
InChIKeyWVVCIANEWRDKMN-UHFFFAOYSA-N
XLogP0.07
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216
(2S)-2-amino-N-[(2-hydroxyphenyl)methyl]butanediamide
CID 96913231
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]butanediamide
CID 131861350
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
2-[2-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]acetic acid
CID 81317772
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
2-amino-N-[(2,4-dimethoxyphenyl)methyl]butanediamide;hydrochloride
CID 119956336
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
CID 65229949
2-amino-N-[(3-methoxyphenyl)methyl]butanediamide;hydrochloride
CID 119955853

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride?
The IUPAC name of 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride (CID 119956519) is 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride is COCc1ccccc1CNC(=O)C(N)CC(N)=O.Cl.
What is the InChIKey of 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride?
The InChIKey is WVVCIANEWRDKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-19-8-10-5-3-2-4-9(10)7-16-13(18)11(14)6-12(15)17;/h2-5,11H,6-8,14H2,1H3,(H2,15,17)(H,16,18);1H.
What are the key properties of 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride?
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride is sourced from PubChem (CID 119956519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).