2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide

C17H26N2O2 — CID 78930256

IUPAC2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide
SMILESCC[C@@H](N)c1ccc(OC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-16(18)13-8-10-15(11-9-13)21-12(2)17(20)19-14-6-4-5-7-14/h8-12,14,16H,3-7,18H2,1-2H3,(H,19,20)/t12?,16-/m1/s1
InChIKeyMPKDKEUXDQGACB-PVQCJRHBSA-N
MW290.41 g/mol
LogP2.92
Rot. Bonds6

About 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide

2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide (PubChem CID 78930256) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide
PubChem CID78930256
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide
SMILESCC[C@@H](N)c1ccc(OC(C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-16(18)13-8-10-15(11-9-13)21-12(2)17(20)19-14-6-4-5-7-14/h8-12,14,16H,3-7,18H2,1-2H3,(H,19,20)/t12?,16-/m1/s1
InChIKeyMPKDKEUXDQGACB-PVQCJRHBSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63367662
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-cyclopentyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495986
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
(2R)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480668
(2S)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480667
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
N-cyclopentyl-2-(4-methylsulfonylphenoxy)propanamide
CID 51174549
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide?
The IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide (CID 78930256) is 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide is CC[C@@H](N)c1ccc(OC(C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide?
The InChIKey is MPKDKEUXDQGACB-PVQCJRHBSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-16(18)13-8-10-15(11-9-13)21-12(2)17(20)19-14-6-4-5-7-14/h8-12,14,16H,3-7,18H2,1-2H3,(H,19,20)/t12?,16-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide?
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide has a molecular weight of 290.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide is sourced from PubChem (CID 78930256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).