N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide

C17H25NO3 — CID 3129815

IUPACN-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide
SMILESCC1(C)CC(N(CCCO)C(=O)c2ccccc2)CCO1
InChIInChI=1S/C17H25NO3/c1-17(2)13-15(9-12-21-17)18(10-6-11-19)16(20)14-7-4-3-5-8-14/h3-5,7-8,15,19H,6,9-13H2,1-2H3
InChIKeyCMIHYDHGBLAFLP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.47
Rot. Bonds5

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

N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide (PubChem CID 3129815) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide
PubChem CID3129815
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide
SMILESCC1(C)CC(N(CCCO)C(=O)c2ccccc2)CCO1
InChIInChI=1S/C17H25NO3/c1-17(2)13-15(9-12-21-17)18(10-6-11-19)16(20)14-7-4-3-5-8-14/h3-5,7-8,15,19H,6,9-13H2,1-2H3
InChIKeyCMIHYDHGBLAFLP-UHFFFAOYSA-N
XLogP2.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide (CID 3129815) is N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide is CC1(C)CC(N(CCCO)C(=O)c2ccccc2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide?
The InChIKey is CMIHYDHGBLAFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2)13-15(9-12-21-17)18(10-6-11-19)16(20)14-7-4-3-5-8-14/h3-5,7-8,15,19H,6,9-13H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide?
N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 3129815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).