N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide

C19H23NO2 — CID 41380086

IUPACN-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
SMILESCC(C)[C@@H](C)NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)15(3)20-19(21)17-11-9-16(10-12-17)13-22-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyRDDHPIKKDHQEED-OAHLLOKOSA-N
MW297.40 g/mol
LogP4.04
Rot. Bonds6

About N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide

N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide (PubChem CID 41380086) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
PubChem CID41380086
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
SMILESCC(C)[C@@H](C)NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)15(3)20-19(21)17-11-9-16(10-12-17)13-22-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyRDDHPIKKDHQEED-OAHLLOKOSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 112759831
N-pentan-3-yl-4-(phenoxymethyl)benzamide
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3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024
N-[(2S,3R)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenoxymethyl)benzamide
CID 89072103
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
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4-(phenoxymethyl)-N-prop-2-ynylbenzamide
CID 39737071
propan-2-yl 4-(phenoxymethyl)benzoate
CID 55357147
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide (CID 41380086) is N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide is CC(C)[C@@H](C)NC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide?
The InChIKey is RDDHPIKKDHQEED-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)15(3)20-19(21)17-11-9-16(10-12-17)13-22-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide?
N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 41380086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).