N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide

C17H25NO3 — CID 110022005

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)N[C@H](CO)c2ccccc2)CCO1
InChIInChI=1S/C17H25NO3/c1-2-6-15-11-14(9-10-21-15)17(20)18-16(12-19)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,2,6,9-12H2,1H3,(H,18,20)/t14?,15?,16-/m1/s1
InChIKeyZRJUUOWGAYFBBW-UYSNPLJNSA-N
MW291.39 g/mol
LogP2.43
Rot. Bonds6

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide (PubChem CID 110022005) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide
PubChem CID110022005
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)N[C@H](CO)c2ccccc2)CCO1
InChIInChI=1S/C17H25NO3/c1-2-6-15-11-14(9-10-21-15)17(20)18-16(12-19)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,2,6,9-12H2,1H3,(H,18,20)/t14?,15?,16-/m1/s1
InChIKeyZRJUUOWGAYFBBW-UYSNPLJNSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-propyloxane-4-carboxamide
CID 110021512
3-[(2-methyloxane-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512412
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-(5-hydroxypentan-2-yl)-2-propyloxane-4-carboxamide
CID 110021505
N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide
CID 110022037
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-4-carboxamide
CID 103951345
(2S,4S)-2-propyloxane-4-carboxylic acid
CID 928523
(2R)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methyl-3,6-dihydro-2H-pyran-2-carboxamide
CID 10999832
1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
CID 111509432

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide (CID 110022005) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide is CCCC1CC(C(=O)N[C@H](CO)c2ccccc2)CCO1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide?
The InChIKey is ZRJUUOWGAYFBBW-UYSNPLJNSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-6-15-11-14(9-10-21-15)17(20)18-16(12-19)13-7-4-3-5-8-13/h3-5,7-8,14-16,19H,2,6,9-12H2,1H3,(H,18,20)/t14?,15?,16-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide is sourced from PubChem (CID 110022005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).