3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride

C14H22ClN3O3 — CID 119283198

IUPAC3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
SMILESCN(C)C(=O)COc1cccc(CNC(=O)CCN)c1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-17(2)14(19)10-20-12-5-3-4-11(8-12)9-16-13(18)6-7-15;/h3-5,8H,6-7,9-10,15H2,1-2H3,(H,16,18);1H
InChIKeyIPYWPZRBIWLUOD-UHFFFAOYSA-N
MW315.80 g/mol
LogP0.54
Rot. Bonds7

About 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride

3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride (PubChem CID 119283198) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
PubChem CID119283198
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
SMILESCN(C)C(=O)COc1cccc(CNC(=O)CCN)c1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-17(2)14(19)10-20-12-5-3-4-11(8-12)9-16-13(18)6-7-15;/h3-5,8H,6-7,9-10,15H2,1-2H3,(H,16,18);1H
InChIKeyIPYWPZRBIWLUOD-UHFFFAOYSA-N
XLogP0.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
CID 120564549
2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119712259
2-[3-[[[N-[(3-fluoro-4-methylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide;hydroiodide
CID 111847078
N,N-dimethyl-2-[3-[[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110979574
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
2-[3-[[[C-(4-benzylpiperazin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 110959423
2-[3-[[(N-hexyl-N'-methylcarbamimidoyl)amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111160851
N,N-dimethyl-2-[3-[[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111359800
N,N-dimethyl-2-[3-[[(N'-methyl-N-pentylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 111128630

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride (CID 119283198) is 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride is CN(C)C(=O)COc1cccc(CNC(=O)CCN)c1.Cl.
What is the InChIKey of 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride?
The InChIKey is IPYWPZRBIWLUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-17(2)14(19)10-20-12-5-3-4-11(8-12)9-16-13(18)6-7-15;/h3-5,8H,6-7,9-10,15H2,1-2H3,(H,16,18);1H.
What are the key properties of 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride?
3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119283198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).