N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide

C15H23NO3 — CID 61245639

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)8-14(9-17)16-15(18)13-6-4-12(5-7-13)10-19-3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyORUGONZTQFDPSD-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide

N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide (PubChem CID 61245639) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
PubChem CID61245639
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)8-14(9-17)16-15(18)13-6-4-12(5-7-13)10-19-3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyORUGONZTQFDPSD-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246638
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
(2S)-3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]propanoic acid
CID 61152053
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
methyl 2-[[4-(methoxymethyl)benzoyl]amino]-3-methylbutanoate
CID 43405155
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(methoxymethyl)phenyl]urea
CID 111113064
(2S)-2-[[2-[[4-(methoxymethyl)benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694973
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide (CID 61245639) is N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NC(CO)CC(C)C)cc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide?
The InChIKey is ORUGONZTQFDPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)8-14(9-17)16-15(18)13-6-4-12(5-7-13)10-19-3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide?
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 1.97, 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-2-yl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 61245639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).