N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide

C13H18N2O4 — CID 43082829

IUPACN-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1ccc(CO)cc1
InChIInChI=1S/C13H18N2O4/c1-3-14-13(18)15-12(17)9(2)19-11-6-4-10(8-16)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H2,14,15,17,18)
InChIKeyPDMPSBITEJOFSX-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.79
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide

N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide (PubChem CID 43082829) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
PubChem CID43082829
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1ccc(CO)cc1
InChIInChI=1S/C13H18N2O4/c1-3-14-13(18)15-12(17)9(2)19-11-6-4-10(8-16)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H2,14,15,17,18)
InChIKeyPDMPSBITEJOFSX-UHFFFAOYSA-N
XLogP0.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495454
N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
CID 2103321
N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 107718569
2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43276952
2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 43115860
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791134
2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107709553
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N-(ethylcarbamoyl)propanamide
CID 79782281
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide (CID 43082829) is N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide is CCNC(=O)NC(=O)C(C)Oc1ccc(CO)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is PDMPSBITEJOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-14-13(18)15-12(17)9(2)19-11-6-4-10(8-16)5-7-11/h4-7,9,16H,3,8H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide?
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 266.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 43082829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).