N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide

C24H29NO3 — CID 119071469

IUPACN-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide
SMILESCCC(=O)c1cccc(-c2cccc(C(=O)N(C)C3CCOC(C)(C)C3)c2)c1
InChIInChI=1S/C24H29NO3/c1-5-22(26)19-10-6-8-17(14-19)18-9-7-11-20(15-18)23(27)25(4)21-12-13-28-24(2,3)16-21/h6-11,14-15,21H,5,12-13,16H2,1-4H3
InChIKeyINUYRSHTHOLBGP-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.98
Rot. Bonds5

About N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide

N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide (PubChem CID 119071469) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide
PubChem CID119071469
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide
SMILESCCC(=O)c1cccc(-c2cccc(C(=O)N(C)C3CCOC(C)(C)C3)c2)c1
InChIInChI=1S/C24H29NO3/c1-5-22(26)19-10-6-8-17(14-19)18-9-7-11-20(15-18)23(27)25(4)21-12-13-28-24(2,3)16-21/h6-11,14-15,21H,5,12-13,16H2,1-4H3
InChIKeyINUYRSHTHOLBGP-UHFFFAOYSA-N
XLogP4.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-2,3,4-trimethoxy-N-methylbenzamide
CID 91835511
N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide
CID 126810790
5-acetamido-2-chloro-N-(2,2-dimethyloxan-4-yl)-N-methylbenzamide
CID 50963092
1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
CID 54912702
2-chloro-N-(2,2-dimethyloxan-4-yl)-N-[(3-ethylphenyl)methyl]acetamide
CID 166418440
2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
CID 95128544
N-(4,4-dimethylcyclohexyl)-N-methyl-3-sulfanylbenzamide
CID 107032511
3-(3,5-difluorophenyl)-1-(2,2-dimethyloxan-4-yl)-1-methylurea
CID 118783191
3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913
3-(3,5-difluorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-methylurea
CID 125164887
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide (CID 119071469) is N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide is CCC(=O)c1cccc(-c2cccc(C(=O)N(C)C3CCOC(C)(C)C3)c2)c1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide?
The InChIKey is INUYRSHTHOLBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-5-22(26)19-10-6-8-17(14-19)18-9-7-11-20(15-18)23(27)25(4)21-12-13-28-24(2,3)16-21/h6-11,14-15,21H,5,12-13,16H2,1-4H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide?
N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-methyl-3-(3-propanoylphenyl)benzamide is sourced from PubChem (CID 119071469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).