N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide

C14H18N2O4 — CID 115495453

IUPACN-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc(CC(C)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-9(17)8-11-4-6-12(7-5-11)20-10(2)13(18)16-14(19)15-3/h4-7,10H,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyGCVZXDCJSUINCL-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.04
Rot. Bonds5

About N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide

N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide (PubChem CID 115495453) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
PubChem CID115495453
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc(CC(C)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-9(17)8-11-4-6-12(7-5-11)20-10(2)13(18)16-14(19)15-3/h4-7,10H,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyGCVZXDCJSUINCL-UHFFFAOYSA-N
XLogP1.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495454
2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107709553
2-[4-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43276952
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359
2-(4-carbamothioylphenoxy)-N-(methylcarbamoyl)propanamide
CID 43116873
2-[3-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115863
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-(methylcarbamoyl)propanamide
CID 79799543
(2R)-N-(methylcarbamoyl)-2-(3-methylphenoxy)propanamide
CID 7817429
2-[2-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107713094
2-[(6-fluoro-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
CID 115371762
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984870

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide (CID 115495453) is N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide is CNC(=O)NC(=O)C(C)Oc1ccc(CC(C)=O)cc1.
What is the InChIKey of N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide?
The InChIKey is GCVZXDCJSUINCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)8-11-4-6-12(7-5-11)20-10(2)13(18)16-14(19)15-3/h4-7,10H,8H2,1-3H3,(H2,15,16,18,19).
What are the key properties of N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide?
N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide has a molecular weight of 278.31 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide is sourced from PubChem (CID 115495453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).