N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide

C19H23N3O3 — CID 126793439

IUPACN-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide
SMILESO=C(CCc1ccncn1)Nc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C19H23N3O3/c23-19(6-3-16-7-10-20-14-21-16)22-17-1-4-18(5-2-17)25-13-15-8-11-24-12-9-15/h1-2,4-5,7,10,14-15H,3,6,8-9,11-13H2,(H,22,23)
InChIKeyPSWMWIXNEBHJCN-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.85
Rot. Bonds7

About N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide

N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide (PubChem CID 126793439) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide
PubChem CID126793439
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide
SMILESO=C(CCc1ccncn1)Nc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C19H23N3O3/c23-19(6-3-16-7-10-20-14-21-16)22-17-1-4-18(5-2-17)25-13-15-8-11-24-12-9-15/h1-2,4-5,7,10,14-15H,3,6,8-9,11-13H2,(H,22,23)
InChIKeyPSWMWIXNEBHJCN-UHFFFAOYSA-N
XLogP2.85
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
CID 120562992
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793699
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303
1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329322
3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride
CID 120610801
2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
CID 164513641
N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide
CID 62383127
4-nitro-N-[4-(oxan-4-ylmethoxy)phenyl]aniline
CID 133433897
3-methyl-1-[[4-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085120

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide?
The IUPAC name of N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide (CID 126793439) is N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide.
What is the SMILES notation for N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide?
The canonical SMILES for N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide is O=C(CCc1ccncn1)Nc1ccc(OCC2CCOCC2)cc1.
What is the InChIKey of N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide?
The InChIKey is PSWMWIXNEBHJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(6-3-16-7-10-20-14-21-16)22-17-1-4-18(5-2-17)25-13-15-8-11-24-12-9-15/h1-2,4-5,7,10,14-15H,3,6,8-9,11-13H2,(H,22,23).
What are the key properties of N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide?
N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide has a molecular weight of 341.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-4-ylmethoxy)phenyl]-3-pyrimidin-4-ylpropanamide is sourced from PubChem (CID 126793439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).