N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C18H21N3O3 — CID 99948118

IUPACN-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC1(C)C[C@@]1(CNC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-17(2)10-18(17,13-6-4-3-5-7-13)11-20-14(22)8-12-9-19-16(24)21-15(12)23/h3-7,9H,8,10-11H2,1-2H3,(H,20,22)(H2,19,21,23,24)/t18-/m1/s1
InChIKeyBEDBEJCSUZNVEG-GOSISDBHSA-N
MW327.38 g/mol
LogP1.09
Rot. Bonds5

About N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 99948118) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID99948118
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCC1(C)C[C@@]1(CNC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-17(2)10-18(17,13-6-4-3-5-7-13)11-20-14(22)8-12-9-19-16(24)21-15(12)23/h3-7,9H,8,10-11H2,1-2H3,(H,20,22)(H2,19,21,23,24)/t18-/m1/s1
InChIKeyBEDBEJCSUZNVEG-GOSISDBHSA-N
XLogP1.09
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 99948118) is N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is CC1(C)C[C@@]1(CNC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is BEDBEJCSUZNVEG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-17(2)10-18(17,13-6-4-3-5-7-13)11-20-14(22)8-12-9-19-16(24)21-15(12)23/h3-7,9H,8,10-11H2,1-2H3,(H,20,22)(H2,19,21,23,24)/t18-/m1/s1.
What are the key properties of N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 99948118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).