N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride

C18H29ClN2O3 — CID 119587638

IUPACN-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride
SMILESC=CCc1cc(C(=O)NC(CN)CC(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-6-7-13-9-14(10-16(22-4)17(13)23-5)18(21)20-15(11-19)8-12(2)3;/h6,9-10,12,15H,1,7-8,11,19H2,2-5H3,(H,20,21);1H
InChIKeySBXZJACVWPMWGM-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.96
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride (PubChem CID 119587638) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride
PubChem CID119587638
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride
SMILESC=CCc1cc(C(=O)NC(CN)CC(C)C)cc(OC)c1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-6-7-13-9-14(10-16(22-4)17(13)23-5)18(21)20-15(11-19)8-12(2)3;/h6,9-10,12,15H,1,7-8,11,19H2,2-5H3,(H,20,21);1H
InChIKeySBXZJACVWPMWGM-UHFFFAOYSA-N
XLogP2.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(5-methylhexan-2-yl)-5-prop-2-enylbenzamide
CID 55451236
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide
CID 63754722
N-[1-(3,4-difluorophenyl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 24532069
N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide;hydrochloride
CID 119586256
N-(1-amino-4-methylpentan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide;hydrochloride
CID 119586549
N-[1-(aminomethyl)cyclopentyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 119567229
N-(4-hydroxycyclohexyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 86911892
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
N-(1-amino-4-methylpentan-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 119586257
3,4-dimethoxy-N-[4-(methylamino)-4-oxobutyl]-5-prop-2-enylbenzamide
CID 155945725

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride (CID 119587638) is N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride is C=CCc1cc(C(=O)NC(CN)CC(C)C)cc(OC)c1OC.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride?
The InChIKey is SBXZJACVWPMWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-6-7-13-9-14(10-16(22-4)17(13)23-5)18(21)20-15(11-19)8-12(2)3;/h6,9-10,12,15H,1,7-8,11,19H2,2-5H3,(H,20,21);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.96, 9 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)-3,4-dimethoxy-5-prop-2-enylbenzamide;hydrochloride is sourced from PubChem (CID 119587638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).