N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide

C24H25N3O3 — CID 136850324

IUPACN-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CCC3)n2)c2ccccc2)c1
InChIInChI=1S/C24H25N3O3/c1-30-20-12-6-11-18(13-20)24(29)26-21(16-7-3-2-4-8-16)14-19-15-22(28)27-23(25-19)17-9-5-10-17/h2-4,6-8,11-13,15,17,21H,5,9-10,14H2,1H3,(H,26,29)(H,25,27,28)/t21-/m1/s1
InChIKeyWESZMXCNVCPCQN-OAQYLSRUSA-N
MW403.48 g/mol
LogP3.76
Rot. Bonds7

About N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide

N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide (PubChem CID 136850324) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide
PubChem CID136850324
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CCC3)n2)c2ccccc2)c1
InChIInChI=1S/C24H25N3O3/c1-30-20-12-6-11-18(13-20)24(29)26-21(16-7-3-2-4-8-16)14-19-15-22(28)27-23(25-19)17-9-5-10-17/h2-4,6-8,11-13,15,17,21H,5,9-10,14H2,1H3,(H,26,29)(H,25,27,28)/t21-/m1/s1
InChIKeyWESZMXCNVCPCQN-OAQYLSRUSA-N
XLogP3.76
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136858703
N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
CID 136682030
N-[2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 136858723
2-(3-methoxyphenyl)-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]acetamide
CID 136816310
N-[2-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 136858700
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
6-methoxy-N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 136850258
N-[1-(4-fluorophenyl)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 136816288
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 136891499
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide (CID 136850324) is N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@H](Cc2cc(=O)[nH]c(C3CCC3)n2)c2ccccc2)c1.
What is the InChIKey of N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide?
The InChIKey is WESZMXCNVCPCQN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-30-20-12-6-11-18(13-20)24(29)26-21(16-7-3-2-4-8-16)14-19-15-22(28)27-23(25-19)17-9-5-10-17/h2-4,6-8,11-13,15,17,21H,5,9-10,14H2,1H3,(H,26,29)(H,25,27,28)/t21-/m1/s1.
What are the key properties of N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide?
N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide has a molecular weight of 403.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-3-methoxybenzamide is sourced from PubChem (CID 136850324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).