N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide

C16H25NO3 — CID 115700661

IUPACN-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
SMILESCCCC(O)CNC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-5-15(18)10-17-16(19)14-8-6-13(7-9-14)11-20-12(2)3/h6-9,12,15,18H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeySEMBJTFIBBFXIE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.50
Rot. Bonds8

About N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide

N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide (PubChem CID 115700661) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
PubChem CID115700661
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
SMILESCCCC(O)CNC(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-4-5-15(18)10-17-16(19)14-8-6-13(7-9-14)11-20-12(2)3/h6-9,12,15,18H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeySEMBJTFIBBFXIE-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726179
N-(3-hydroxy-4-methoxybutyl)-4-(propan-2-yloxymethyl)benzamide
CID 103877317
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
CID 142183434
N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115767414
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
N-(2-hydroxy-3-methylpentyl)-4-(methoxymethyl)benzamide
CID 71969005
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
3,5-dibromo-N-(2-hydroxypentyl)benzamide
CID 103909287
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide (CID 115700661) is N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide is CCCC(O)CNC(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is SEMBJTFIBBFXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-5-15(18)10-17-16(19)14-8-6-13(7-9-14)11-20-12(2)3/h6-9,12,15,18H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide?
N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 279.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 115700661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).