N-[(1S)-1-phenylbutyl]oxane-4-carboxamide

C16H23NO2 — CID 95203312

IUPACN-[(1S)-1-phenylbutyl]oxane-4-carboxamide
SMILESCCC[C@H](NC(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-6-15(13-7-4-3-5-8-13)17-16(18)14-9-11-19-12-10-14/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyAOAMVLAPAAAESG-HNNXBMFYSA-N
MW261.36 g/mol
LogP3.07
Rot. Bonds5

About N-[(1S)-1-phenylbutyl]oxane-4-carboxamide

N-[(1S)-1-phenylbutyl]oxane-4-carboxamide (PubChem CID 95203312) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[(1S)-1-phenylbutyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylbutyl]oxane-4-carboxamide
PubChem CID95203312
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[(1S)-1-phenylbutyl]oxane-4-carboxamide
SMILESCCC[C@H](NC(=O)C1CCOCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-6-15(13-7-4-3-5-8-13)17-16(18)14-9-11-19-12-10-14/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyAOAMVLAPAAAESG-HNNXBMFYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(oxane-4-carbonylamino)-4-phenylbutanoic acid
CID 60825347
4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
CID 31977352
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
ethyl (3S)-3-(oxolane-3-carbonylamino)-3-phenylpropanoate
CID 58782549
1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide
CID 17499311
N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide
CID 51189650
3-(4-tert-butylphenyl)-3-(oxane-4-carbonylamino)propanoic acid
CID 119209982
N-(2-bromo-1-phenylethyl)cyclopropanecarboxamide
CID 114311037
3-methyl-N-(1-phenylbutyl)pyrrolidine-2-carboxamide
CID 102778018
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylbutyl]oxane-4-carboxamide?
The IUPAC name of N-[(1S)-1-phenylbutyl]oxane-4-carboxamide (CID 95203312) is N-[(1S)-1-phenylbutyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylbutyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylbutyl]oxane-4-carboxamide is CCC[C@H](NC(=O)C1CCOCC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylbutyl]oxane-4-carboxamide?
The InChIKey is AOAMVLAPAAAESG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-6-15(13-7-4-3-5-8-13)17-16(18)14-9-11-19-12-10-14/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-phenylbutyl]oxane-4-carboxamide?
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylbutyl]oxane-4-carboxamide is sourced from PubChem (CID 95203312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).