(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide

C16H23FN2O4 — CID 94777102

IUPAC(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCOCCCNC(=O)CN(C)C(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O4/c1-12(23-14-7-5-13(17)6-8-14)16(21)19(2)11-15(20)18-9-4-10-22-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyDUARKRNISNRXIO-LBPRGKRZSA-N
MW326.37 g/mol
LogP1.20
Rot. Bonds9

About (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide

(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 94777102) has the molecular formula C16H23FN2O4 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide
PubChem CID94777102
Molecular FormulaC16H23FN2O4
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCOCCCNC(=O)CN(C)C(=O)[C@H](C)Oc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O4/c1-12(23-14-7-5-13(17)6-8-14)16(21)19(2)11-15(20)18-9-4-10-22-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyDUARKRNISNRXIO-LBPRGKRZSA-N
XLogP1.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 42990044
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
(2R)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 61163818
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 54874167
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 61163445
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
CID 51307828
(2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 95156104
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide (CID 94777102) is (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide is COCCCNC(=O)CN(C)C(=O)[C@H](C)Oc1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is DUARKRNISNRXIO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23FN2O4/c1-12(23-14-7-5-13(17)6-8-14)16(21)19(2)11-15(20)18-9-4-10-22-3/h5-8,12H,4,9-11H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide?
(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 326.37 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 94777102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).