3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide

C15H22N2O2 — CID 115929140

IUPAC3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
SMILESCC(CC1CC1)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C15H22N2O2/c1-11(10-12-6-7-12)17-13-4-2-3-5-14(13)19-9-8-15(16)18/h2-5,11-12,17H,6-10H2,1H3,(H2,16,18)
InChIKeyBQUIWAIMVGVIBW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds8

About 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide

3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide (PubChem CID 115929140) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
PubChem CID115929140
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
SMILESCC(CC1CC1)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C15H22N2O2/c1-11(10-12-6-7-12)17-13-4-2-3-5-14(13)19-9-8-15(16)18/h2-5,11-12,17H,6-10H2,1H3,(H2,16,18)
InChIKeyBQUIWAIMVGVIBW-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide
CID 79538032
3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
CID 62534715
N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
CID 115920665
2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
N-(1-cyclopropylpropan-2-yl)-2-propan-2-yloxyaniline
CID 115920688
3-[2-(heptan-4-ylamino)phenoxy]propanamide
CID 43729781
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide
CID 43729752
N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethoxy)aniline
CID 113489688
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide (CID 115929140) is 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide is CC(CC1CC1)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide?
The InChIKey is BQUIWAIMVGVIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(10-12-6-7-12)17-13-4-2-3-5-14(13)19-9-8-15(16)18/h2-5,11-12,17H,6-10H2,1H3,(H2,16,18).
What are the key properties of 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide?
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide is sourced from PubChem (CID 115929140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).