N-pentan-3-yl-4-(phenoxymethyl)benzamide

C19H23NO2 — CID 55345339

IUPACN-pentan-3-yl-4-(phenoxymethyl)benzamide
SMILESCCC(CC)NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-3-17(4-2)20-19(21)16-12-10-15(11-13-16)14-22-18-8-6-5-7-9-18/h5-13,17H,3-4,14H2,1-2H3,(H,20,21)
InChIKeyGKNOMFGRDBQDEE-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.18
Rot. Bonds7

About N-pentan-3-yl-4-(phenoxymethyl)benzamide

N-pentan-3-yl-4-(phenoxymethyl)benzamide (PubChem CID 55345339) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-pentan-3-yl-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-pentan-3-yl-4-(phenoxymethyl)benzamide
PubChem CID55345339
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-pentan-3-yl-4-(phenoxymethyl)benzamide
SMILESCCC(CC)NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-3-17(4-2)20-19(21)16-12-10-15(11-13-16)14-22-18-8-6-5-7-9-18/h5-13,17H,3-4,14H2,1-2H3,(H,20,21)
InChIKeyGKNOMFGRDBQDEE-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831
4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771460
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide
CID 89072103
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
4-(phenoxymethyl)-N-prop-2-ynylbenzamide
CID 39737071
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
CID 119506574

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-4-(phenoxymethyl)benzamide?
The IUPAC name of N-pentan-3-yl-4-(phenoxymethyl)benzamide (CID 55345339) is N-pentan-3-yl-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-pentan-3-yl-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-pentan-3-yl-4-(phenoxymethyl)benzamide is CCC(CC)NC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-pentan-3-yl-4-(phenoxymethyl)benzamide?
The InChIKey is GKNOMFGRDBQDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-17(4-2)20-19(21)16-12-10-15(11-13-16)14-22-18-8-6-5-7-9-18/h5-13,17H,3-4,14H2,1-2H3,(H,20,21).
What are the key properties of N-pentan-3-yl-4-(phenoxymethyl)benzamide?
N-pentan-3-yl-4-(phenoxymethyl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 55345339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).