N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide

C20H25NO2 — CID 1263174

IUPACN-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-15(2)23-19-13-11-18(12-14-19)20(22)21-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-16H,9-10H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyAIWQRRVYHNHKJF-INIZCTEOSA-N
MW311.43 g/mol
LogP4.22
Rot. Bonds7

About N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide

N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 1263174) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID1263174
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-15(2)23-19-13-11-18(12-14-19)20(22)21-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-16H,9-10H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyAIWQRRVYHNHKJF-INIZCTEOSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210474
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210472
N-[(2R)-4-phenylbutan-2-yl]-4-prop-2-enoxybenzamide
CID 40746031
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
4-[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzamide
CID 31017501
methyl 4-[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate
CID 7542209
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
CID 90498496
4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119180775

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide (CID 1263174) is N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1.
What is the InChIKey of N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is AIWQRRVYHNHKJF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(2)23-19-13-11-18(12-14-19)20(22)21-16(3)9-10-17-7-5-4-6-8-17/h4-8,11-16H,9-10H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide?
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 311.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 1263174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).