N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide

C17H25NO3 — CID 102866166

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N(CCCO)C2CCC2)cc1
InChIInChI=1S/C17H25NO3/c1-13-7-9-16(10-8-13)21-14(2)17(20)18(11-4-12-19)15-5-3-6-15/h7-10,14-15,19H,3-6,11-12H2,1-2H3
InChIKeyVNQKGXHYKYLWFF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.53
Rot. Bonds7

About N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide

N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide (PubChem CID 102866166) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide
PubChem CID102866166
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N(CCCO)C2CCC2)cc1
InChIInChI=1S/C17H25NO3/c1-13-7-9-16(10-8-13)21-14(2)17(20)18(11-4-12-19)15-5-3-6-15/h7-10,14-15,19H,3-6,11-12H2,1-2H3
InChIKeyVNQKGXHYKYLWFF-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxypropanamide
CID 102684586
2-(2-chlorophenoxy)-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866620
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246
(2R)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(4-fluorophenoxy)propanamide
CID 94134560
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
N-methyl-2-(4-methylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442967
N-(2-hydroxyethyl)-2-(4-methylphenoxy)-N-prop-2-enylpropanamide
CID 115775825
N-cyclobutyl-2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 102684163
N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103514023
N-cyclobutyl-N-(3-hydroxypropyl)-2,5-dimethoxybenzamide
CID 102866390
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861821
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861176

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide (CID 102866166) is N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)N(CCCO)C2CCC2)cc1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is VNQKGXHYKYLWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-7-9-16(10-8-13)21-14(2)17(20)18(11-4-12-19)15-5-3-6-15/h7-10,14-15,19H,3-6,11-12H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 102866166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).