3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide

C18H24N4O2 — CID 118791993

IUPAC3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
SMILESCc1cc(C)nc(CNC(=O)c2ccc(C)c(OCCCN)c2)n1
InChIInChI=1S/C18H24N4O2/c1-12-5-6-15(10-16(12)24-8-4-7-19)18(23)20-11-17-21-13(2)9-14(3)22-17/h5-6,9-10H,4,7-8,11,19H2,1-3H3,(H,20,23)
InChIKeyYINYKWUSEVXELQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.06
Rot. Bonds7

About 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide

3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide (PubChem CID 118791993) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
PubChem CID118791993
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
SMILESCc1cc(C)nc(CNC(=O)c2ccc(C)c(OCCCN)c2)n1
InChIInChI=1S/C18H24N4O2/c1-12-5-6-15(10-16(12)24-8-4-7-19)18(23)20-11-17-21-13(2)9-14(3)22-17/h5-6,9-10H,4,7-8,11,19H2,1-3H3,(H,20,23)
InChIKeyYINYKWUSEVXELQ-UHFFFAOYSA-N
XLogP2.06
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 126452473
acetic acid;3-(3-aminopropoxy)-N-[2-(dimethylsulfamoyl)ethyl]-4-methylbenzamide
CID 154903818
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
CID 119074684
3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide
CID 118771147
3-(3-aminopropoxy)-4-methyl-N-[1-(2-methylphenyl)cyclopropyl]benzamide
CID 118772337
3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide
CID 118794228
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
N-(3-aminopropyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796599
[3-(3-aminopropoxy)-4-methylphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 118768901

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide?
The IUPAC name of 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide (CID 118791993) is 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide is Cc1cc(C)nc(CNC(=O)c2ccc(C)c(OCCCN)c2)n1.
What is the InChIKey of 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide?
The InChIKey is YINYKWUSEVXELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-5-6-15(10-16(12)24-8-4-7-19)18(23)20-11-17-21-13(2)9-14(3)22-17/h5-6,9-10H,4,7-8,11,19H2,1-3H3,(H,20,23).
What are the key properties of 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide?
3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide has a molecular weight of 328.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 118791993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).