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

C18H29ClN2O2 — CID 119996180

IUPACN-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(OCC2CCCCC2)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14(11-19)12-20-18(21)16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15;/h7-10,14-15H,2-6,11-13,19H2,1H3,(H,20,21);1H
InChIKeySABISYYPZVCJLB-UHFFFAOYSA-N
MW340.89 g/mol
LogP3.39
Rot. Bonds7

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

N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride (PubChem CID 119996180) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride
PubChem CID119996180
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride
SMILESCC(CN)CNC(=O)c1ccc(OCC2CCCCC2)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14(11-19)12-20-18(21)16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15;/h7-10,14-15H,2-6,11-13,19H2,1H3,(H,20,21);1H
InChIKeySABISYYPZVCJLB-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934
N-(1-aminopropan-2-yl)-4-(cyclohexylmethoxy)-N-methylbenzamide;hydrochloride
CID 119584659
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
[[4-(cyclopentylmethoxy)benzoyl]amino]methanesulfinic acid
CID 174758918
4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943780
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522
[4-[[4-(cyclohexylmethoxy)phenyl]methylcarbamoyl]phenyl] dihydrogen phosphate
CID 10812007

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride (CID 119996180) is N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride is CC(CN)CNC(=O)c1ccc(OCC2CCCCC2)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride?
The InChIKey is SABISYYPZVCJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-14(11-19)12-20-18(21)16-7-9-17(10-8-16)22-13-15-5-3-2-4-6-15;/h7-10,14-15H,2-6,11-13,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 3.39, 7 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-(cyclohexylmethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119996180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).