(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

C23H30N2O3 — CID 99972529

IUPAC(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-4-18-7-5-6-8-22(18)27-17(2)23(26)24-19-9-11-20(12-10-19)28-21-13-15-25(3)16-14-21/h5-12,17,21H,4,13-16H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyAARXJXCECXXLRJ-KRWDZBQOSA-N
MW382.50 g/mol
LogP4.13
Rot. Bonds7

About (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (PubChem CID 99972529) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
PubChem CID99972529
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N2O3/c1-4-18-7-5-6-8-22(18)27-17(2)23(26)24-19-9-11-20(12-10-19)28-21-13-15-25(3)16-14-21/h5-12,17,21H,4,13-16H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyAARXJXCECXXLRJ-KRWDZBQOSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methoxyphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972736
2-(2-ethylphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]propanamide
CID 132660321
2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 132669905
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 131943396
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 99131609
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
(2R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(N-methylsulfonylanilino)butanamide
CID 99972291
2-(4-chloro-3-methylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 132665241

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (CID 99972529) is (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The InChIKey is AARXJXCECXXLRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-18-7-5-6-8-22(18)27-17(2)23(26)24-19-9-11-20(12-10-19)28-21-13-15-25(3)16-14-21/h5-12,17,21H,4,13-16H2,1-3H3,(H,24,26)/t17-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide has a molecular weight of 382.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is sourced from PubChem (CID 99972529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).