N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C17H29ClN2O2 — CID 119774273

IUPACN-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCCCC(NC(=O)C(C)CNC)c1ccc(OC)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-5-6-7-16(19-17(20)13(2)12-18-3)14-8-10-15(21-4)11-9-14;/h8-11,13,16,18H,5-7,12H2,1-4H3,(H,19,20);1H
InChIKeyWSMLOYZQMAVUGR-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.32
Rot. Bonds9

About N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119774273) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119774273
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCCCC(NC(=O)C(C)CNC)c1ccc(OC)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-5-6-7-16(19-17(20)13(2)12-18-3)14-8-10-15(21-4)11-9-14;/h8-11,13,16,18H,5-7,12H2,1-4H3,(H,19,20);1H
InChIKeyWSMLOYZQMAVUGR-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-methoxyphenyl)pentyl]acetamide;hydrochloride
CID 119318115
(2S)-2-[2-(4-methoxyphenyl)propanoylamino]hexanoic acid
CID 120614449
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000754
N-[3-(4-methoxyphenyl)butyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119799837
3-[1-(4-methoxyphenyl)pentylcarbamoyl-methylamino]propanoic acid
CID 122000751
5-[1-(4-methoxyphenyl)pentylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 119114121
4-(aminomethyl)-N-[1-(4-methoxyphenyl)pentyl]benzamide
CID 119318120
3-amino-N-[1-(4-methoxyphenyl)pentyl]cyclopentane-1-carboxamide
CID 119774262
2-amino-N-[1-(4-methoxyphenyl)propyl]pentanamide;hydrochloride
CID 119271194
N-(1-methoxyhexan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 119795721
3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)pentyl]propanamide
CID 95151859
methyl 3-[[2-methyl-3-(methylamino)propanoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 119737239

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119774273) is N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CCCCC(NC(=O)C(C)CNC)c1ccc(OC)cc1.Cl.
What is the InChIKey of N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is WSMLOYZQMAVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-5-6-7-16(19-17(20)13(2)12-18-3)14-8-10-15(21-4)11-9-14;/h8-11,13,16,18H,5-7,12H2,1-4H3,(H,19,20);1H.
What are the key properties of N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)pentyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119774273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).