N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride

C14H23ClN2O2 — CID 119997780

IUPACN-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
SMILESCCCOc1cccc(C(=O)NCC(C)CN)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-7-18-13-6-4-5-12(8-13)14(17)16-10-11(2)9-15;/h4-6,8,11H,3,7,9-10,15H2,1-2H3,(H,16,17);1H
InChIKeyNRBVXWCCKKZBHY-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.22
Rot. Bonds7

About N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride (PubChem CID 119997780) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
PubChem CID119997780
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
SMILESCCCOc1cccc(C(=O)NCC(C)CN)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-3-7-18-13-6-4-5-12(8-13)14(17)16-10-11(2)9-15;/h4-6,8,11H,3,7,9-10,15H2,1-2H3,(H,16,17);1H
InChIKeyNRBVXWCCKKZBHY-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(2-chloro-4-methylpentyl)-3-propoxybenzamide
CID 107157243
N-(2-bromopentyl)-3-propoxybenzamide
CID 113496505
N-(3-chlorobutyl)-3-propoxybenzamide
CID 114301736
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
CID 62919665
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
N-(5-chloro-4-methylpentyl)-3-propoxybenzamide
CID 106157174
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride (CID 119997780) is N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride is CCCOc1cccc(C(=O)NCC(C)CN)c1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride?
The InChIKey is NRBVXWCCKKZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-3-7-18-13-6-4-5-12(8-13)14(17)16-10-11(2)9-15;/h4-6,8,11H,3,7,9-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.22, 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)-3-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119997780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).