3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide

C14H21NO3 — CID 83029751

IUPAC3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NC[C@H](C)O
InChIInChI=1S/C14H21NO3/c1-3-18-13-7-5-4-6-12(13)8-9-14(17)15-10-11(2)16/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyUAUKKGCKMQJQNP-NSHDSACASA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds7

About 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide

3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide (PubChem CID 83029751) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
PubChem CID83029751
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NC[C@H](C)O
InChIInChI=1S/C14H21NO3/c1-3-18-13-7-5-4-6-12(13)8-9-14(17)15-10-11(2)16/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyUAUKKGCKMQJQNP-NSHDSACASA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
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N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 51251237
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 112690620
3-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 31725859
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128
3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
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CID 119772890

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide (CID 83029751) is 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide is CCOc1ccccc1CCC(=O)NC[C@H](C)O.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide?
The InChIKey is UAUKKGCKMQJQNP-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-13-7-5-4-6-12(13)8-9-14(17)15-10-11(2)16/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide?
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 83029751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).