N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide

C23H25N3O2 — CID 505005

IUPACN-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
SMILESCC(C)CCN(Cc1ccc2ccccc2c1)C(=O)CC(=O)c1ncccn1
InChIInChI=1S/C23H25N3O2/c1-17(2)10-13-26(22(28)15-21(27)23-24-11-5-12-25-23)16-18-8-9-19-6-3-4-7-20(19)14-18/h3-9,11-12,14,17H,10,13,15-16H2,1-2H3
InChIKeyGOZDFXFIUOTEMZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.28
Rot. Bonds8

About N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide

N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide (PubChem CID 505005) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
PubChem CID505005
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide
SMILESCC(C)CCN(Cc1ccc2ccccc2c1)C(=O)CC(=O)c1ncccn1
InChIInChI=1S/C23H25N3O2/c1-17(2)10-13-26(22(28)15-21(27)23-24-11-5-12-25-23)16-18-8-9-19-6-3-4-7-20(19)14-18/h3-9,11-12,14,17H,10,13,15-16H2,1-2H3
InChIKeyGOZDFXFIUOTEMZ-UHFFFAOYSA-N
XLogP4.28
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-4-phenyl-1-(pyrimidine-2-carbonyl)pyrrolidine-3-carboxamide
CID 44433792
2-Naphthalen-1-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2129239
US9815796, Example 102
CID 139268033
1-Pyrimidin-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 90354799
N-(4-Dimethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 504977
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505033
N-(3-Diethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 505049
N-isopropyl-3-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzamide
CID 504975
N-(3-Dimethylsulfamoyl-phenyl)-N-naphthalen-2-ylmethyl-3-oxo-3-pyrimidin-2-yl-propionamide
CID 504976
N-(2-naphthylmethyl)-3-oxo-N-phenyl-3-pyrimidin-2-yl-propanamide
CID 504994
N-(3,5-dichlorophenyl)-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 504995
N-benzyl-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 504998

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
The IUPAC name of N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide (CID 505005) is N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide.
What is the SMILES notation for N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
The canonical SMILES for N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide is CC(C)CCN(Cc1ccc2ccccc2c1)C(=O)CC(=O)c1ncccn1.
What is the InChIKey of N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
The InChIKey is GOZDFXFIUOTEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(2)10-13-26(22(28)15-21(27)23-24-11-5-12-25-23)16-18-8-9-19-6-3-4-7-20(19)14-18/h3-9,11-12,14,17H,10,13,15-16H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide?
N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide has a molecular weight of 375.47 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-(naphthalen-2-ylmethyl)-3-oxo-3-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 505005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).