1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone

C18H25NO3 — CID 94177929

IUPAC1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C18H25NO3/c1-14(20)17-4-2-3-5-18(17)22-11-9-19(16-6-7-16)12-15-8-10-21-13-15/h2-5,15-16H,6-13H2,1H3/t15-/m1/s1
InChIKeyGFDXLNPIMBPTEX-OAHLLOKOSA-N
MW303.40 g/mol
LogP2.77
Rot. Bonds8

About 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone

1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone (PubChem CID 94177929) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
PubChem CID94177929
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C18H25NO3/c1-14(20)17-4-2-3-5-18(17)22-11-9-19(16-6-7-16)12-15-8-10-21-13-15/h2-5,15-16H,6-13H2,1H3/t15-/m1/s1
InChIKeyGFDXLNPIMBPTEX-OAHLLOKOSA-N
XLogP2.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
1-[2-[2-(oxolan-3-yloxy)ethoxy]phenyl]ethanone
CID 63557252
1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 62547332
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
N-(2-methoxyethyl)-N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 52533901
1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
CID 60689525
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894
1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 63300204
2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 54994962
1-[2-[2-[ethyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 61434391
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone (CID 94177929) is 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN(C[C@H]1CCOC1)C1CC1.
What is the InChIKey of 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone?
The InChIKey is GFDXLNPIMBPTEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(20)17-4-2-3-5-18(17)22-11-9-19(16-6-7-16)12-15-8-10-21-13-15/h2-5,15-16H,6-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone?
1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone has a molecular weight of 303.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 94177929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).