2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

C15H18N2O3 — CID 80716354

IUPAC2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCC1(CO)CC1
InChIInChI=1S/C15H18N2O3/c1-11(14(19)17-9-15(10-18)6-7-15)20-13-4-2-12(8-16)3-5-13/h2-5,11,18H,6-7,9-10H2,1H3,(H,17,19)
InChIKeyBSHPPGYUJUHCRY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.21
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide

2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 80716354) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
PubChem CID80716354
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCC1(CO)CC1
InChIInChI=1S/C15H18N2O3/c1-11(14(19)17-9-15(10-18)6-7-15)20-13-4-2-12(8-16)3-5-13/h2-5,11,18H,6-7,9-10H2,1H3,(H,17,19)
InChIKeyBSHPPGYUJUHCRY-UHFFFAOYSA-N
XLogP1.21
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-cyanophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449643
2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717682
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315312
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751607
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide (CID 80716354) is 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCC1(CO)CC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is BSHPPGYUJUHCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11(14(19)17-9-15(10-18)6-7-15)20-13-4-2-12(8-16)3-5-13/h2-5,11,18H,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide?
2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 80716354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).