N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide

C15H22N2O4 — CID 63650613

IUPACN-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C15H22N2O4/c1-5-16-15(20)17-14(19)11(4)21-13-8-9(2)6-7-12(13)10(3)18/h6-8,10-11,18H,5H2,1-4H3,(H2,16,17,19,20)/t10-,11?/m0/s1
InChIKeyYZNCQCRQVUUITH-VUWPPUDQSA-N
MW294.35 g/mol
LogP1.66
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide

N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide (PubChem CID 63650613) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
PubChem CID63650613
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1cc(C)ccc1[C@H](C)O
InChIInChI=1S/C15H22N2O4/c1-5-16-15(20)17-14(19)11(4)21-13-8-9(2)6-7-12(13)10(3)18/h6-8,10-11,18H,5H2,1-4H3,(H2,16,17,19,20)/t10-,11?/m0/s1
InChIKeyYZNCQCRQVUUITH-VUWPPUDQSA-N
XLogP1.66
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 78946946
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43520156
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
2-[2-(1-hydroxyethyl)-4-methylphenoxy]-N-propylpropanamide
CID 43505240
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
2-(2-amino-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43438016
2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]-N-propylpropanamide
CID 63639602
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
CID 63366328

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide (CID 63650613) is N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide is CCNC(=O)NC(=O)C(C)Oc1cc(C)ccc1[C@H](C)O.
What is the InChIKey of N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide?
The InChIKey is YZNCQCRQVUUITH-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-16-15(20)17-14(19)11(4)21-13-8-9(2)6-7-12(13)10(3)18/h6-8,10-11,18H,5H2,1-4H3,(H2,16,17,19,20)/t10-,11?/m0/s1.
What are the key properties of N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide?
N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide has a molecular weight of 294.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide is sourced from PubChem (CID 63650613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).