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

C24H32N2O4 — CID 99971607

IUPAC(2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C24H32N2O4/c1-4-23(30-21-11-9-19(28-3)10-12-21)24(27)25-17-18-5-7-20(8-6-18)29-22-13-15-26(2)16-14-22/h5-12,22-23H,4,13-17H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyDLPOOJCILRVPRU-HSZRJFAPSA-N
MW412.53 g/mol
LogP3.64
Rot. Bonds9

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

(2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide (PubChem CID 99971607) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
PubChem CID99971607
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name(2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
SMILESCC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C24H32N2O4/c1-4-23(30-21-11-9-19(28-3)10-12-21)24(27)25-17-18-5-7-20(8-6-18)29-22-13-15-26(2)16-14-22/h5-12,22-23H,4,13-17H2,1-3H3,(H,25,27)/t23-/m1/s1
InChIKeyDLPOOJCILRVPRU-HSZRJFAPSA-N
XLogP3.64
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
CID 99972645
(2R)-2-(4-methoxyphenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 99971602
(2S)-2-(4-methoxyphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015127
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
2-(2-ethylphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]propanamide
CID 132660321
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide?
The IUPAC name of (2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide (CID 99971607) is (2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide?
The canonical SMILES for (2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide is CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide?
The InChIKey is DLPOOJCILRVPRU-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-4-23(30-21-11-9-19(28-3)10-12-21)24(27)25-17-18-5-7-20(8-6-18)29-22-13-15-26(2)16-14-22/h5-12,22-23H,4,13-17H2,1-3H3,(H,25,27)/t23-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide?
(2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide has a molecular weight of 412.53 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide is sourced from PubChem (CID 99971607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).