N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide

C22H25FN2O3 — CID 60537612

IUPACN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C22H25FN2O3/c23-18-3-1-2-17(14-18)6-11-21(26)24-13-12-16-4-9-20(10-5-16)28-15-22(27)25-19-7-8-19/h1-5,9-10,14,19H,6-8,11-13,15H2,(H,24,26)(H,25,27)
InChIKeyDCMUPJMJTBAVBO-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.77
Rot. Bonds10

About N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide (PubChem CID 60537612) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide
PubChem CID60537612
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C22H25FN2O3/c23-18-3-1-2-17(14-18)6-11-21(26)24-13-12-16-4-9-20(10-5-16)28-15-22(27)25-19-7-8-19/h1-5,9-10,14,19H,6-8,11-13,15H2,(H,24,26)(H,25,27)
InChIKeyDCMUPJMJTBAVBO-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-[2-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]phenoxy]acetamide;hydroiodide
CID 111395280
4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide
CID 119299396
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55947486
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(phenylcarbamoylamino)propanamide
CID 55893945
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(difluoromethoxy)benzamide
CID 55893056
2-[4-[2-[[amino-(2-phenylethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075226
1-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119741706
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
N-cyclopropyl-2-[4-[2-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]ethyl]phenoxy]acetamide
CID 55893449
2-[4-[2-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075300

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide (CID 60537612) is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide is O=C(CCc1cccc(F)c1)NCCc1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide?
The InChIKey is DCMUPJMJTBAVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-18-3-1-2-17(14-18)6-11-21(26)24-13-12-16-4-9-20(10-5-16)28-15-22(27)25-19-7-8-19/h1-5,9-10,14,19H,6-8,11-13,15H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide?
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide has a molecular weight of 384.45 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 60537612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).