2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride

C14H22ClN3O4 — CID 120989161

IUPAC2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride
SMILESCNC(=O)CCOc1ccc(NC(=O)C(N)COC)cc1.Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-16-13(18)7-8-21-11-5-3-10(4-6-11)17-14(19)12(15)9-20-2;/h3-6,12H,7-9,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyCWKMMKCBYJSZEJ-UHFFFAOYSA-N
MW331.80 g/mol
LogP0.54
Rot. Bonds8

About 2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride (PubChem CID 120989161) has the molecular formula C14H22ClN3O4 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride
PubChem CID120989161
Molecular FormulaC14H22ClN3O4
Molecular Weight331.80 g/mol
Exact Mass331.13
IUPAC Name2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride
SMILESCNC(=O)CCOc1ccc(NC(=O)C(N)COC)cc1.Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-16-13(18)7-8-21-11-5-3-10(4-6-11)17-14(19)12(15)9-20-2;/h3-6,12H,7-9,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyCWKMMKCBYJSZEJ-UHFFFAOYSA-N
XLogP0.54
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
(2S)-2-amino-3-methoxy-N-[4-[(4-phenylphenyl)methoxy]phenyl]propanamide
CID 163928568
methyl 3-[4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenoxy]propanoate;hydrochloride
CID 119311109
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide
CID 119776874
2-amino-N-(4-ethoxyphenyl)-4-methoxybutanamide
CID 55080527
(2S)-2-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119319638
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
CID 81083287

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride (CID 120989161) is 2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride is CNC(=O)CCOc1ccc(NC(=O)C(N)COC)cc1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride?
The InChIKey is CWKMMKCBYJSZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4.ClH/c1-16-13(18)7-8-21-11-5-3-10(4-6-11)17-14(19)12(15)9-20-2;/h3-6,12H,7-9,15H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of 2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of 0.54, 8 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-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120989161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).