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

C18H21N3O4 — CID 91793268

IUPACN-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)NC(c2ccccc2)C2CC(O)C2)c1=O
InChIInChI=1S/C18H21N3O4/c1-21-17(24)13(10-19-18(21)25)9-15(23)20-16(12-7-14(22)8-12)11-5-3-2-4-6-11/h2-6,10,12,14,16,22H,7-9H2,1H3,(H,19,25)(H,20,23)
InChIKeyYOSVVZMZWYKCPP-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.24
Rot. Bonds5

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

N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 91793268) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID91793268
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCn1c(=O)[nH]cc(CC(=O)NC(c2ccccc2)C2CC(O)C2)c1=O
InChIInChI=1S/C18H21N3O4/c1-21-17(24)13(10-19-18(21)25)9-15(23)20-16(12-7-14(22)8-12)11-5-3-2-4-6-11/h2-6,10,12,14,16,22H,7-9H2,1H3,(H,19,25)(H,20,23)
InChIKeyYOSVVZMZWYKCPP-UHFFFAOYSA-N
XLogP0.24
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 91793268) is N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cn1c(=O)[nH]cc(CC(=O)NC(c2ccccc2)C2CC(O)C2)c1=O.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is YOSVVZMZWYKCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-21-17(24)13(10-19-18(21)25)9-15(23)20-16(12-7-14(22)8-12)11-5-3-2-4-6-11/h2-6,10,12,14,16,22H,7-9H2,1H3,(H,19,25)(H,20,23).
What are the key properties of N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 343.38 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-phenylmethyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 91793268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).