N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide

C24H35N3O — CID 144913789

IUPACN-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide
SMILESCCCCC(C)(C)C(CCC)N(C)C(=O)c1cc(C)ccc1-c1ncccn1
InChIInChI=1S/C24H35N3O/c1-7-9-14-24(4,5)21(11-8-2)27(6)23(28)20-17-18(3)12-13-19(20)22-25-15-10-16-26-22/h10,12-13,15-17,21H,7-9,11,14H2,1-6H3
InChIKeyMNZIMSFJKHTMHP-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.91
Rot. Bonds9

About N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide

N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide (PubChem CID 144913789) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide
PubChem CID144913789
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC NameN-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide
SMILESCCCCC(C)(C)C(CCC)N(C)C(=O)c1cc(C)ccc1-c1ncccn1
InChIInChI=1S/C24H35N3O/c1-7-9-14-24(4,5)21(11-8-2)27(6)23(28)20-17-18(3)12-13-19(20)22-25-15-10-16-26-22/h10,12-13,15-17,21H,7-9,11,14H2,1-6H3
InChIKeyMNZIMSFJKHTMHP-UHFFFAOYSA-N
XLogP5.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine
CID 144913788
N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide
CID 144913737
N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-pyrimidin-2-ylbenzamide
CID 135127661
N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 130329578
N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 143898587
5-methyl-N-[(2S)-2-(pyridin-2-yloxymethyl)heptyl]-2-pyrimidin-2-ylbenzamide
CID 130329592
2-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-pentan-2-ylbenzamide
CID 81111565
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
CID 79778554
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
2-(ethylamino)-N,5-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 62510944
2-amino-3-fluoro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 105385002
5-methyl-2-[[methyl(pentan-2-yl)carbamoyl]amino]benzoic acid
CID 61201776

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide (CID 144913789) is N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide is CCCCC(C)(C)C(CCC)N(C)C(=O)c1cc(C)ccc1-c1ncccn1.
What is the InChIKey of N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide?
The InChIKey is MNZIMSFJKHTMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-7-9-14-24(4,5)21(11-8-2)27(6)23(28)20-17-18(3)12-13-19(20)22-25-15-10-16-26-22/h10,12-13,15-17,21H,7-9,11,14H2,1-6H3.
What are the key properties of N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide?
N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide has a molecular weight of 381.56 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 144913789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).