N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride

C18H31ClN2O3 — CID 119587214

IUPACN-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NC(CN)CC(C)C)cc1OC.Cl
InChIInChI=1S/C18H30N2O3.ClH/c1-5-6-9-23-16-8-7-14(11-17(16)22-4)18(21)20-15(12-19)10-13(2)3;/h7-8,11,13,15H,5-6,9-10,12,19H2,1-4H3,(H,20,21);1H
InChIKeyIKGBSZKRPYAXCF-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.40
Rot. Bonds10

About N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride (PubChem CID 119587214) has the molecular formula C18H31ClN2O3 and a molecular weight of 358.91 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
PubChem CID119587214
Molecular FormulaC18H31ClN2O3
Molecular Weight358.91 g/mol
Exact Mass358.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NC(CN)CC(C)C)cc1OC.Cl
InChIInChI=1S/C18H30N2O3.ClH/c1-5-6-9-23-16-8-7-14(11-17(16)22-4)18(21)20-15(12-19)10-13(2)3;/h7-8,11,13,15H,5-6,9-10,12,19H2,1-4H3,(H,20,21);1H
InChIKeyIKGBSZKRPYAXCF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride
CID 119666426
N-(1-amino-4-methylpentan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide;hydrochloride
CID 119586549
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655429
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669
N-(1-amino-4-methylpentan-2-yl)-3-methoxy-4-nitrobenzamide
CID 115737402
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119666149
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride (CID 119587214) is N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride is CCCCOc1ccc(C(=O)NC(CN)CC(C)C)cc1OC.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride?
The InChIKey is IKGBSZKRPYAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3.ClH/c1-5-6-9-23-16-8-7-14(11-17(16)22-4)18(21)20-15(12-19)10-13(2)3;/h7-8,11,13,15H,5-6,9-10,12,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;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-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119587214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).