N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide

C20H24FN3O4 — CID 144830519

IUPACN-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide
SMILESCC(=O)NCCOC1CC(COc2ncnc(OCc3ccccc3)c2F)C1
InChIInChI=1S/C20H24FN3O4/c1-14(25)22-7-8-26-17-9-16(10-17)12-28-20-18(21)19(23-13-24-20)27-11-15-5-3-2-4-6-15/h2-6,13,16-17H,7-12H2,1H3,(H,22,25)
InChIKeyHNTXTSHNFVELIW-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.50
Rot. Bonds10

About N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide

N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide (PubChem CID 144830519) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide
PubChem CID144830519
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC NameN-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide
SMILESCC(=O)NCCOC1CC(COc2ncnc(OCc3ccccc3)c2F)C1
InChIInChI=1S/C20H24FN3O4/c1-14(25)22-7-8-26-17-9-16(10-17)12-28-20-18(21)19(23-13-24-20)27-11-15-5-3-2-4-6-15/h2-6,13,16-17H,7-12H2,1H3,(H,22,25)
InChIKeyHNTXTSHNFVELIW-UHFFFAOYSA-N
XLogP2.50
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[[5-chloro-6-(cyclopropylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxyethyl]acetamide
CID 154947029
N-[(2S)-1-[3-[[5-fluoro-6-[(4-fluoro-2-pyridinyl)methoxy]pyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122498053
N-[6-[2,3-dihydroxy-4,5,6-tris(phenylmethoxy)cyclohexyl]oxyhexyl]acetamide
CID 18970877
N-[(2S)-1-[3-[[6-[benzyl(methyl)amino]-5-chloropyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497894
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyethanamine
CID 166118396
2-[3-(phenylmethoxymethyl)cyclobutyl]oxyacetic acid
CID 155437936
2-acetamidoethyl 2-phenylacetate
CID 139889118
N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide
CID 170489660
N-(3-phenylmethoxycyclobutyl)pyrimidine-5-carboxamide
CID 91545004
2-O-benzyl 1-O-methyl (1S,2R,4R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylate
CID 135013218
1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea
CID 96831919
N-(phenylmethoxymethyl)acetamide
CID 91608192

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide?
The IUPAC name of N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide (CID 144830519) is N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide?
The canonical SMILES for N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide is CC(=O)NCCOC1CC(COc2ncnc(OCc3ccccc3)c2F)C1.
What is the InChIKey of N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide?
The InChIKey is HNTXTSHNFVELIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-14(25)22-7-8-26-17-9-16(10-17)12-28-20-18(21)19(23-13-24-20)27-11-15-5-3-2-4-6-15/h2-6,13,16-17H,7-12H2,1H3,(H,22,25).
What are the key properties of N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide?
N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(5-fluoro-6-phenylmethoxypyrimidin-4-yl)oxymethyl]cyclobutyl]oxyethyl]acetamide is sourced from PubChem (CID 144830519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).