2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

C23H30N2O4 — CID 131915345

IUPAC2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCOc1ccccc1OC(C)(C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N2O4/c1-23(2,29-21-8-6-5-7-20(21)27-4)22(26)24-17-9-11-18(12-10-17)28-19-13-15-25(3)16-14-19/h5-12,19H,13-16H2,1-4H3,(H,24,26)
InChIKeyXRMMMZWIVCSGCY-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.96
Rot. Bonds7

About 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (PubChem CID 131915345) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
PubChem CID131915345
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCOc1ccccc1OC(C)(C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C23H30N2O4/c1-23(2,29-21-8-6-5-7-20(21)27-4)22(26)24-17-9-11-18(12-10-17)28-19-13-15-25(3)16-14-19/h5-12,19H,13-16H2,1-4H3,(H,24,26)
InChIKeyXRMMMZWIVCSGCY-UHFFFAOYSA-N
XLogP3.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
(2S)-2-(2-methoxyphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972736
2-(2-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]acetamide
CID 99970858
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
4-(2-methoxy-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 100758557
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
CID 131920797
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
2-methoxy-N-[4-(2-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 131944896
4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
CID 56700231

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The IUPAC name of 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (CID 131915345) is 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is COc1ccccc1OC(C)(C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The InChIKey is XRMMMZWIVCSGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-23(2,29-21-8-6-5-7-20(21)27-4)22(26)24-17-9-11-18(12-10-17)28-19-13-15-25(3)16-14-19/h5-12,19H,13-16H2,1-4H3,(H,24,26).
What are the key properties of 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide has a molecular weight of 398.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-2-methyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is sourced from PubChem (CID 131915345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).