N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride

C15H25ClN2O3 — CID 119497040

IUPACN-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
SMILESCOc1cccc(COC(C)C(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-11(16)7-8-17-15(18)12(2)20-10-13-5-4-6-14(9-13)19-3;/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18);1H
InChIKeyQUUSGCYXKMXGJX-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.88
Rot. Bonds8

About N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride

N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride (PubChem CID 119497040) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
PubChem CID119497040
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC NameN-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
SMILESCOc1cccc(COC(C)C(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-11(16)7-8-17-15(18)12(2)20-10-13-5-4-6-14(9-13)19-3;/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18);1H
InChIKeyQUUSGCYXKMXGJX-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methoxy]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599675
(2S)-2-[(3-methoxyphenyl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94024629
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95335268
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
2-[(3-methoxyphenyl)methoxy]-1-phenylpropan-1-one
CID 62030765
N-[(2,4-dichlorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 43077370
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55686840
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
2-[(3-methoxyphenyl)methoxy]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462030
2-[(3-methoxyphenyl)methoxy]pentanehydrazide
CID 83047753
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride (CID 119497040) is N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride is COc1cccc(COC(C)C(=O)NCCC(C)N)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride?
The InChIKey is QUUSGCYXKMXGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-11(16)7-8-17-15(18)12(2)20-10-13-5-4-6-14(9-13)19-3;/h4-6,9,11-12H,7-8,10,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride?
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride is sourced from PubChem (CID 119497040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).