2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride

C13H20ClN3O3 — CID 119277909

IUPAC2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1cccc(OCC(N)=O)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-8(2)12(15)13(18)16-9-4-3-5-10(6-9)19-7-11(14)17;/h3-6,8,12H,7,15H2,1-2H3,(H2,14,17)(H,16,18);1H
InChIKeyQSIMPZNXOLDZAD-UHFFFAOYSA-N
MW301.77 g/mol
LogP0.89
Rot. Bonds6

About 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride

2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride (PubChem CID 119277909) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
PubChem CID119277909
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1cccc(OCC(N)=O)c1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-8(2)12(15)13(18)16-9-4-3-5-10(6-9)19-7-11(14)17;/h3-6,8,12H,7,15H2,1-2H3,(H2,14,17)(H,16,18);1H
InChIKeyQSIMPZNXOLDZAD-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922
2-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 43708782
2-amino-N-[3-(3-cyanopropoxy)phenyl]-3-methylbutanamide
CID 60927001
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
CID 103831187
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride (CID 119277909) is 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride is CC(C)C(N)C(=O)Nc1cccc(OCC(N)=O)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride?
The InChIKey is QSIMPZNXOLDZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-8(2)12(15)13(18)16-9-4-3-5-10(6-9)19-7-11(14)17;/h3-6,8,12H,7,15H2,1-2H3,(H2,14,17)(H,16,18);1H.
What are the key properties of 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride?
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119277909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).