N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride

C16H27ClN2O2 — CID 119996953

IUPACN-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
SMILESCC(C)CCOc1ccc(C(=O)NCC(C)CN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)8-9-20-15-6-4-14(5-7-15)16(19)18-11-13(3)10-17;/h4-7,12-13H,8-11,17H2,1-3H3,(H,18,19);1H
InChIKeyZRHMTZLNKRTBNF-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.86
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride

N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride (PubChem CID 119996953) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
PubChem CID119996953
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
SMILESCC(C)CCOc1ccc(C(=O)NCC(C)CN)cc1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-12(2)8-9-20-15-6-4-14(5-7-15)16(19)18-11-13(3)10-17;/h4-7,12-13H,8-11,17H2,1-3H3,(H,18,19);1H
InChIKeyZRHMTZLNKRTBNF-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 6944071
N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride
CID 119996180
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
CID 119507309
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
N-(4-hydroxy-2-phenylpentyl)-4-(3-methylbutoxy)benzamide
CID 71852516
N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
CID 119583468
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride (CID 119996953) is N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride is CC(C)CCOc1ccc(C(=O)NCC(C)CN)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride?
The InChIKey is ZRHMTZLNKRTBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-12(2)8-9-20-15-6-4-14(5-7-15)16(19)18-11-13(3)10-17;/h4-7,12-13H,8-11,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride is sourced from PubChem (CID 119996953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).