N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide

C20H25N3O3 — CID 110117891

IUPACN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide
SMILESCC1(c2ncc(CNC(=O)CCOc3ccccc3)cn2)CCCCO1
InChIInChI=1S/C20H25N3O3/c1-20(10-5-6-11-26-20)19-22-14-16(15-23-19)13-21-18(24)9-12-25-17-7-3-2-4-8-17/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,21,24)
InChIKeyRLOPVHZGGJKLSJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.98
Rot. Bonds7

About N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide

N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide (PubChem CID 110117891) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide
PubChem CID110117891
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide
SMILESCC1(c2ncc(CNC(=O)CCOc3ccccc3)cn2)CCCCO1
InChIInChI=1S/C20H25N3O3/c1-20(10-5-6-11-26-20)19-22-14-16(15-23-19)13-21-18(24)9-12-25-17-7-3-2-4-8-17/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,21,24)
InChIKeyRLOPVHZGGJKLSJ-UHFFFAOYSA-N
XLogP2.98
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylimidazol-1-yl)-N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]propanamide
CID 124952350
4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117829
N-[[2-[(2S)-2-methyloxan-2-yl]pyrimidin-5-yl]methyl]methanesulfonamide
CID 124988461
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 32854703
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-3-phenoxypropanamide
CID 124754927
3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 56787210
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
N-[(3-aminophenyl)methyl]-3-phenoxypropanamide
CID 62499937

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide?
The IUPAC name of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide (CID 110117891) is N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide is CC1(c2ncc(CNC(=O)CCOc3ccccc3)cn2)CCCCO1.
What is the InChIKey of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide?
The InChIKey is RLOPVHZGGJKLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(10-5-6-11-26-20)19-22-14-16(15-23-19)13-21-18(24)9-12-25-17-7-3-2-4-8-17/h2-4,7-8,14-15H,5-6,9-13H2,1H3,(H,21,24).
What are the key properties of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide?
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide has a molecular weight of 355.44 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-3-phenoxypropanamide is sourced from PubChem (CID 110117891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).