N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide

C17H25NO3 — CID 96566487

IUPACN-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCc1ccc(O[C@@H](C)CNC(=O)CC[C@H]2CCCO2)cc1
InChIInChI=1S/C17H25NO3/c1-13-5-7-16(8-6-13)21-14(2)12-18-17(19)10-9-15-4-3-11-20-15/h5-8,14-15H,3-4,9-12H2,1-2H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyMQFJVJLSKXDDDH-LSDHHAIUSA-N
MW291.39 g/mol
LogP2.84
Rot. Bonds7

About N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide

N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 96566487) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID96566487
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCc1ccc(O[C@@H](C)CNC(=O)CC[C@H]2CCCO2)cc1
InChIInChI=1S/C17H25NO3/c1-13-5-7-16(8-6-13)21-14(2)12-18-17(19)10-9-15-4-3-11-20-15/h5-8,14-15H,3-4,9-12H2,1-2H3,(H,18,19)/t14-,15+/m0/s1
InChIKeyMQFJVJLSKXDDDH-LSDHHAIUSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-methylphenyl)methyl]-3-[3-[(2R)-oxolan-2-yl]propanoylamino]propanoic acid
CID 97324632
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-(2-amino-3-hydroxybutyl)-3-(oxolan-2-yl)propanamide
CID 65160397
2-methyl-1-[2-(3-methylphenoxy)propyl]-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111685135
2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 66166255
N-[2-methyl-3-(methylamino)propyl]-3-(oxan-2-yl)propanamide
CID 81479192
N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94184404
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
N-(2-bromo-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956762

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide (CID 96566487) is N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide is Cc1ccc(O[C@@H](C)CNC(=O)CC[C@H]2CCCO2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is MQFJVJLSKXDDDH-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-5-7-16(8-6-13)21-14(2)12-18-17(19)10-9-15-4-3-11-20-15/h5-8,14-15H,3-4,9-12H2,1-2H3,(H,18,19)/t14-,15+/m0/s1.
What are the key properties of N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 96566487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).