(2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide

C17H22N4O2 — CID 97321399

IUPAC(2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-4-10-19-17(22)12(2)20-14-5-7-15(8-6-14)23-16-9-11-18-13(3)21-16/h5-9,11-12,20H,4,10H2,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyNKMLPALWCRIZHJ-GFCCVEGCSA-N
MW314.39 g/mol
LogP2.90
Rot. Bonds7

About (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide

(2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide (PubChem CID 97321399) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide
PubChem CID97321399
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-4-10-19-17(22)12(2)20-14-5-7-15(8-6-14)23-16-9-11-18-13(3)21-16/h5-9,11-12,20H,4,10H2,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyNKMLPALWCRIZHJ-GFCCVEGCSA-N
XLogP2.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butan-2-yloxyanilino)-N-propylpropanamide
CID 3030788
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242371
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
1-(1-methylcyclobutyl)-3-[4-(2-methylpyrimidin-4-yl)oxyphenyl]urea
CID 75432482
2-[(5-methoxy-2-pyridinyl)amino]-N-propylpropanamide
CID 106504045
N-prop-2-enyl-2-(4-propoxyanilino)propanamide
CID 62328512
(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
CID 32737082

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide?
The IUPAC name of (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide (CID 97321399) is (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide is CCCNC(=O)[C@@H](C)Nc1ccc(Oc2ccnc(C)n2)cc1.
What is the InChIKey of (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide?
The InChIKey is NKMLPALWCRIZHJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-10-19-17(22)12(2)20-14-5-7-15(8-6-14)23-16-9-11-18-13(3)21-16/h5-9,11-12,20H,4,10H2,1-3H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide?
(2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide is sourced from PubChem (CID 97321399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).