2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride

C13H20ClN3O3 — CID 119955956

IUPAC2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
SMILESCOc1ccccc1C(C)NC(=O)C(N)CC(N)=O.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-8(9-5-3-4-6-11(9)19-2)16-13(18)10(14)7-12(15)17;/h3-6,8,10H,7,14H2,1-2H3,(H2,15,17)(H,16,18);1H
InChIKeyLEVXRAPKHBWIGA-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.50
Rot. Bonds6

About 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride

2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride (PubChem CID 119955956) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
PubChem CID119955956
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
SMILESCOc1ccccc1C(C)NC(=O)C(N)CC(N)=O.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-8(9-5-3-4-6-11(9)19-2)16-13(18)10(14)7-12(15)17;/h3-6,8,10H,7,14H2,1-2H3,(H2,15,17)(H,16,18);1H
InChIKeyLEVXRAPKHBWIGA-UHFFFAOYSA-N
XLogP0.50
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanediamide
CID 81380522
4-amino-5-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81387858
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81387944
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
3-(2-methoxyphenyl)pentanediamide
CID 20546356
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-(aminomethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387150

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride (CID 119955956) is 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride is COc1ccccc1C(C)NC(=O)C(N)CC(N)=O.Cl.
What is the InChIKey of 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride?
The InChIKey is LEVXRAPKHBWIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-8(9-5-3-4-6-11(9)19-2)16-13(18)10(14)7-12(15)17;/h3-6,8,10H,7,14H2,1-2H3,(H2,15,17)(H,16,18);1H.
What are the key properties of 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride?
2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride is sourced from PubChem (CID 119955956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).