N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C19H23N3O4 — CID 91769970

IUPACN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)NC(Cc2ccccc2)C2CC(O)C2)c1=O
InChIInChI=1S/C19H23N3O4/c1-22-18(25)14(11-20-19(22)26)10-17(24)21-16(13-8-15(23)9-13)7-12-5-3-2-4-6-12/h2-6,11,13,15-16,23H,7-10H2,1H3,(H,20,26)(H,21,24)
InChIKeyKOHBYHDCJUSSBC-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.11
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91769970) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91769970
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)NC(Cc2ccccc2)C2CC(O)C2)c1=O
InChIInChI=1S/C19H23N3O4/c1-22-18(25)14(11-20-19(22)26)10-17(24)21-16(13-8-15(23)9-13)7-12-5-3-2-4-6-12/h2-6,11,13,15-16,23H,7-10H2,1H3,(H,20,26)(H,21,24)
InChIKeyKOHBYHDCJUSSBC-UHFFFAOYSA-N
XLogP0.11
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91769970) is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cn1c(=O)[nH]cc(CC(=O)NC(Cc2ccccc2)C2CC(O)C2)c1=O.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is KOHBYHDCJUSSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-22-18(25)14(11-20-19(22)26)10-17(24)21-16(13-8-15(23)9-13)7-12-5-3-2-4-6-12/h2-6,11,13,15-16,23H,7-10H2,1H3,(H,20,26)(H,21,24).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91769970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).