N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide

C16H23NO3 — CID 90499285

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C16H23NO3/c1-11(2)20-14-8-4-12(5-9-14)15(18)17-10-16(3,19)13-6-7-13/h4-5,8-9,11,13,19H,6-7,10H2,1-3H3,(H,17,18)
InChIKeyWENVWBYBIUVZRA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide

N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide (PubChem CID 90499285) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
PubChem CID90499285
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NCC(C)(O)C2CC2)cc1
InChIInChI=1S/C16H23NO3/c1-11(2)20-14-8-4-12(5-9-14)15(18)17-10-16(3,19)13-6-7-13/h4-5,8-9,11,13,19H,6-7,10H2,1-3H3,(H,17,18)
InChIKeyWENVWBYBIUVZRA-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-4-(trifluoromethoxy)benzamide
CID 95986148
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 43050302
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
CID 90498496
1-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62796946
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 90499307
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N-(2-methylbutan-2-yl)-4-propan-2-yloxybenzamide
CID 56920644
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
CID 90499308

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide (CID 90499285) is N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NCC(C)(O)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide?
The InChIKey is WENVWBYBIUVZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)20-14-8-4-12(5-9-14)15(18)17-10-16(3,19)13-6-7-13/h4-5,8-9,11,13,19H,6-7,10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide?
N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 90499285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).