N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide

C12H16N2O4 — CID 55190570

IUPACN-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
SMILESCC(Oc1ccc([C@H](C)O)cc1)C(=O)NC(N)=O
InChIInChI=1S/C12H16N2O4/c1-7(15)9-3-5-10(6-4-9)18-8(2)11(16)14-12(13)17/h3-8,15H,1-2H3,(H3,13,14,16,17)/t7-,8?/m0/s1
InChIKeyZXOJJWIZTHDJPD-JAMMHHFISA-N
MW252.27 g/mol
LogP0.70
Rot. Bonds4

About N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide

N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (PubChem CID 55190570) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
PubChem CID55190570
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
SMILESCC(Oc1ccc([C@H](C)O)cc1)C(=O)NC(N)=O
InChIInChI=1S/C12H16N2O4/c1-7(15)9-3-5-10(6-4-9)18-8(2)11(16)14-12(13)17/h3-8,15H,1-2H3,(H3,13,14,16,17)/t7-,8?/m0/s1
InChIKeyZXOJJWIZTHDJPD-JAMMHHFISA-N
XLogP0.70
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930610
N-carbamoyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63365371
2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503658
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504090
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
2-[4-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63364137
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-carbamoylpropanamide
CID 63367394
2-[(6-bromo-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 107396697
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43277090

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The IUPAC name of N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (CID 55190570) is N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide is CC(Oc1ccc([C@H](C)O)cc1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
The InChIKey is ZXOJJWIZTHDJPD-JAMMHHFISA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(15)9-3-5-10(6-4-9)18-8(2)11(16)14-12(13)17/h3-8,15H,1-2H3,(H3,13,14,16,17)/t7-,8?/m0/s1.
What are the key properties of N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide?
N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide has a molecular weight of 252.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide is sourced from PubChem (CID 55190570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).