N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide

C14H20N2O4 — CID 43504090

IUPACN-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
SMILESCC(O)CCc1ccc(OC(C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(17)3-4-11-5-7-12(8-6-11)20-10(2)13(18)16-14(15)19/h5-10,17H,3-4H2,1-2H3,(H3,15,16,18,19)
InChIKeySPPUIJNZWPNHEY-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.96
Rot. Bonds6

About N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide

N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide (PubChem CID 43504090) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
PubChem CID43504090
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
SMILESCC(O)CCc1ccc(OC(C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C14H20N2O4/c1-9(17)3-4-11-5-7-12(8-6-11)20-10(2)13(18)16-14(15)19/h5-10,17H,3-4H2,1-2H3,(H3,15,16,18,19)
InChIKeySPPUIJNZWPNHEY-UHFFFAOYSA-N
XLogP0.96
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082828
N-carbamoyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 55190570
N-carbamoyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930610
N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504088
N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43277090
2-[4-(3-hydroxybutyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504093
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
2-[4-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107709553
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
N-carbamoyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63365371
2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 43116380
N-carbamoyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79799924

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide?
The IUPAC name of N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide (CID 43504090) is N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide.
What is the SMILES notation for N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide?
The canonical SMILES for N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide is CC(O)CCc1ccc(OC(C)C(=O)NC(N)=O)cc1.
What is the InChIKey of N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide?
The InChIKey is SPPUIJNZWPNHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(17)3-4-11-5-7-12(8-6-11)20-10(2)13(18)16-14(15)19/h5-10,17H,3-4H2,1-2H3,(H3,15,16,18,19).
What are the key properties of N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide?
N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide has a molecular weight of 280.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide is sourced from PubChem (CID 43504090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).