N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride

C18H31ClN2O3 — CID 119666426

IUPACN-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(OCC(C)C)c(OC)c1.Cl
InChIInChI=1S/C18H30N2O3.ClH/c1-5-6-7-15(11-19)20-18(21)14-8-9-16(17(10-14)22-4)23-12-13(2)3;/h8-10,13,15H,5-7,11-12,19H2,1-4H3,(H,20,21);1H
InChIKeyTUYXPEUOHHNRKA-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.40
Rot. Bonds10

About N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride

N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride (PubChem CID 119666426) has the molecular formula C18H31ClN2O3 and a molecular weight of 358.91 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride
PubChem CID119666426
Molecular FormulaC18H31ClN2O3
Molecular Weight358.91 g/mol
Exact Mass358.20
IUPAC NameN-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1ccc(OCC(C)C)c(OC)c1.Cl
InChIInChI=1S/C18H30N2O3.ClH/c1-5-6-7-15(11-19)20-18(21)14-8-9-16(17(10-14)22-4)23-12-13(2)3;/h8-10,13,15H,5-7,11-12,19H2,1-4H3,(H,20,21);1H
InChIKeyTUYXPEUOHHNRKA-UHFFFAOYSA-N
XLogP3.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119666149
N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119665887
(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 119369773
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide
CID 106180328
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-(methanesulfonamido)-4,5-dimethoxybenzamide;hydrochloride
CID 119665737
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride (CID 119666426) is N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride is CCCCC(CN)NC(=O)c1ccc(OCC(C)C)c(OC)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride?
The InChIKey is TUYXPEUOHHNRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3.ClH/c1-5-6-7-15(11-19)20-18(21)14-8-9-16(17(10-14)22-4)23-12-13(2)3;/h8-10,13,15H,5-7,11-12,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride is sourced from PubChem (CID 119666426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).