2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride

C14H22ClN3O4 — CID 120987592

IUPAC2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cccc(NC(=O)C(C)OC)c1.Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-9(21-3)13(18)16-10-5-4-6-11(7-10)17-14(19)12(15)8-20-2;/h4-7,9,12H,8,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyZHTWTTUDMIDQNI-UHFFFAOYSA-N
MW331.80 g/mol
LogP0.99
Rot. Bonds7

About 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride (PubChem CID 120987592) has the molecular formula C14H22ClN3O4 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
PubChem CID120987592
Molecular FormulaC14H22ClN3O4
Molecular Weight331.80 g/mol
Exact Mass331.13
IUPAC Name2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cccc(NC(=O)C(C)OC)c1.Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-9(21-3)13(18)16-10-5-4-6-11(7-10)17-14(19)12(15)8-20-2;/h4-7,9,12H,8,15H2,1-3H3,(H,16,18)(H,17,19);1H
InChIKeyZHTWTTUDMIDQNI-UHFFFAOYSA-N
XLogP0.99
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
CID 81088623
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methoxypropanamide;hydrochloride
CID 120983933
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
2-amino-3-methoxy-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]propanamide;hydrochloride
CID 120987747
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
CID 54862261
methyl 3-[[3-[(2-amino-3-methoxypropanoyl)amino]phenyl]methylsulfanyl]propanoate;hydrochloride
CID 120989091

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride (CID 120987592) is 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride is COCC(N)C(=O)Nc1cccc(NC(=O)C(C)OC)c1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride?
The InChIKey is ZHTWTTUDMIDQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4.ClH/c1-9(21-3)13(18)16-10-5-4-6-11(7-10)17-14(19)12(15)8-20-2;/h4-7,9,12H,8,15H2,1-3H3,(H,16,18)(H,17,19);1H.
What are the key properties of 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120987592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).