4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide

C14H21NO3 — CID 103957663

IUPAC4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CO)CC(C)C)ccc1O
InChIInChI=1S/C14H21NO3/c1-9(2)6-12(8-16)15-14(18)11-4-5-13(17)10(3)7-11/h4-5,7,9,12,16-17H,6,8H2,1-3H3,(H,15,18)
InChIKeyUFKVLERDJNSZER-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.84
Rot. Bonds5

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

4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide (PubChem CID 103957663) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
PubChem CID103957663
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(CO)CC(C)C)ccc1O
InChIInChI=1S/C14H21NO3/c1-9(2)6-12(8-16)15-14(18)11-4-5-13(17)10(3)7-11/h4-5,7,9,12,16-17H,6,8H2,1-3H3,(H,15,18)
InChIKeyUFKVLERDJNSZER-UHFFFAOYSA-N
XLogP1.84
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
4-hydroxy-N-(1-hydroxy-4-methoxybutan-2-yl)-3-methylbenzamide
CID 114211302
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-(4-aminopentan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107673367
N-(1-chloro-4-methylpentan-2-yl)-3,4-dihydroxybenzamide
CID 107729002
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide?
The IUPAC name of 4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide (CID 103957663) is 4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide is Cc1cc(C(=O)NC(CO)CC(C)C)ccc1O.
What is the InChIKey of 4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide?
The InChIKey is UFKVLERDJNSZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)6-12(8-16)15-14(18)11-4-5-13(17)10(3)7-11/h4-5,7,9,12,16-17H,6,8H2,1-3H3,(H,15,18).
What are the key properties of 4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide?
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 103957663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).