N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride

C16H25ClN2O3 — CID 119575855

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC(C)(CN)C2CC2)cc(OC)c1C.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-10-13(20-3)7-11(8-14(10)21-4)15(19)18-16(2,9-17)12-5-6-12;/h7-8,12H,5-6,9,17H2,1-4H3,(H,18,19);1H
InChIKeyULPPNRWPRQLJQS-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.29
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride (PubChem CID 119575855) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
PubChem CID119575855
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC(C)(CN)C2CC2)cc(OC)c1C.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-10-13(20-3)7-11(8-14(10)21-4)15(19)18-16(2,9-17)12-5-6-12;/h7-8,12H,5-6,9,17H2,1-4H3,(H,18,19);1H
InChIKeyULPPNRWPRQLJQS-UHFFFAOYSA-N
XLogP2.29
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119572875
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
CID 119575042
N-(1-amino-2-cyclopropylpropan-2-yl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119575203
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 115737293
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119575326
N-(1-amino-2-cyclopropylpropan-2-yl)-6-methylpyridine-3-carboxamide
CID 81487644
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119574609
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride (CID 119575855) is N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride is COc1cc(C(=O)NC(C)(CN)C2CC2)cc(OC)c1C.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride?
The InChIKey is ULPPNRWPRQLJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-10-13(20-3)7-11(8-14(10)21-4)15(19)18-16(2,9-17)12-5-6-12;/h7-8,12H,5-6,9,17H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119575855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).