N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide

C18H24N4O — CID 134704159

IUPACN-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide
SMILESCCc1cnc(C)nc1NCCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H24N4O/c1-5-15-11-20-14(4)21-18(15)19-9-8-17(23)22-16-10-12(2)6-7-13(16)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyAITNEDJCECFNSX-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.40
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide

N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide (PubChem CID 134704159) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide
PubChem CID134704159
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide
SMILESCCc1cnc(C)nc1NCCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H24N4O/c1-5-15-11-20-14(4)21-18(15)19-9-8-17(23)22-16-10-12(2)6-7-13(16)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyAITNEDJCECFNSX-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
N-(2,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035079
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]butanamide
CID 40803264
N-(2,5-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004454
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
N-(2,5-dimethylphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440391

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide (CID 134704159) is N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide is CCc1cnc(C)nc1NCCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide?
The InChIKey is AITNEDJCECFNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-15-11-20-14(4)21-18(15)19-9-8-17(23)22-16-10-12(2)6-7-13(16)3/h6-7,10-11H,5,8-9H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide?
N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide has a molecular weight of 312.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 134704159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).