N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide

C16H25NO3 — CID 103782545

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CCO)C(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-11(2)15(9-10-18)17-16(19)13-5-7-14(8-6-13)20-12(3)4/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyBMBIQRLHLZWRPO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide

N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide (PubChem CID 103782545) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide
PubChem CID103782545
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC(CCO)C(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-11(2)15(9-10-18)17-16(19)13-5-7-14(8-6-13)20-12(3)4/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,17,19)
InChIKeyBMBIQRLHLZWRPO-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750873
4-(2-amino-2-oxoethoxy)-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750889
N-(1-hydroxy-4-methylpentan-3-yl)-4-nitrobenzamide
CID 103751033
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
3,5-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254978
N-(1-hydroxy-4-methylpentan-3-yl)pyrimidine-5-carboxamide
CID 104629427
3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 43092234
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide (CID 103782545) is N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC(CCO)C(C)C)cc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide?
The InChIKey is BMBIQRLHLZWRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(2)15(9-10-18)17-16(19)13-5-7-14(8-6-13)20-12(3)4/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide?
N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 103782545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).