(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide

C17H27NO3 — CID 99959864

IUPAC(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NCCCOC(C)C
InChIInChI=1S/C17H27NO3/c1-5-15-9-6-7-10-16(15)21-14(4)17(19)18-11-8-12-20-13(2)3/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyBWEQEKVPKULYRM-AWEZNQCLSA-N
MW293.41 g/mol
LogP2.95
Rot. Bonds9

About (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide

(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 99959864) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID99959864
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)NCCCOC(C)C
InChIInChI=1S/C17H27NO3/c1-5-15-9-6-7-10-16(15)21-14(4)17(19)18-11-8-12-20-13(2)3/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyBWEQEKVPKULYRM-AWEZNQCLSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100568779
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide
CID 133239783
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide (CID 99959864) is (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide is CCc1ccccc1O[C@@H](C)C(=O)NCCCOC(C)C.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is BWEQEKVPKULYRM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-15-9-6-7-10-16(15)21-14(4)17(19)18-11-8-12-20-13(2)3/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide?
(2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 99959864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).