N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide

C16H25NO3 — CID 103933503

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C16H25NO3/c1-6-11-20-13-9-7-12(8-10-13)14(18)17-15(2,3)16(4,5)19/h7-10,19H,6,11H2,1-5H3,(H,17,18)
InChIKeyYRFBVZBFPULESE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.75
Rot. Bonds6

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide (PubChem CID 103933503) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
PubChem CID103933503
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C16H25NO3/c1-6-11-20-13-9-7-12(8-10-13)14(18)17-15(2,3)16(4,5)19/h7-10,19H,6,11H2,1-5H3,(H,17,18)
InChIKeyYRFBVZBFPULESE-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60643031
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
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CID 82101917
N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
CID 64550930
N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
CID 114314567
N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
CID 119524229
N-tert-butyl-4-(2-fluoroethoxy)benzamide
CID 130197731
N-butyl-4-propoxybenzamide
CID 17142951
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347731
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 79053644
2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
CID 75383535

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide (CID 103933503) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)NC(C)(C)C(C)(C)O)cc1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide?
The InChIKey is YRFBVZBFPULESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-11-20-13-9-7-12(8-10-13)14(18)17-15(2,3)16(4,5)19/h7-10,19H,6,11H2,1-5H3,(H,17,18).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide is sourced from PubChem (CID 103933503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).