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

C16H24N2O3 — CID 119575042

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
SMILESCOc1cc(C)c(C(=O)NC(C)(CN)C2CC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10-7-13(20-3)14(21-4)8-12(10)15(19)18-16(2,9-17)11-5-6-11/h7-8,11H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyHJDZCDUGSXSTJJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.87
Rot. Bonds6

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

N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide (PubChem CID 119575042) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
PubChem CID119575042
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
SMILESCOc1cc(C)c(C(=O)NC(C)(CN)C2CC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10-7-13(20-3)14(21-4)8-12(10)15(19)18-16(2,9-17)11-5-6-11/h7-8,11H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyHJDZCDUGSXSTJJ-UHFFFAOYSA-N
XLogP1.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide (CID 119575042) is N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide is COc1cc(C)c(C(=O)NC(C)(CN)C2CC2)cc1OC.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide?
The InChIKey is HJDZCDUGSXSTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-7-13(20-3)14(21-4)8-12(10)15(19)18-16(2,9-17)11-5-6-11/h7-8,11H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.87, 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)-4,5-dimethoxy-2-methylbenzamide is sourced from PubChem (CID 119575042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).