N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C24H32N2O3 — CID 26900131

IUPACN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C24H32N2O3/c1-18(2)22-10-9-19(3)13-23(22)29-17-24(27)25-14-21-16-26(11-12-28-21)15-20-7-5-4-6-8-20/h4-10,13,18,21H,11-12,14-17H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyFGNPRJBUNMNUIC-NRFANRHFSA-N
MW396.53 g/mol
LogP3.51
Rot. Bonds8

About N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 26900131) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID26900131
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1
InChIInChI=1S/C24H32N2O3/c1-18(2)22-10-9-19(3)13-23(22)29-17-24(27)25-14-21-16-26(11-12-28-21)15-20-7-5-4-6-8-20/h4-10,13,18,21H,11-12,14-17H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyFGNPRJBUNMNUIC-NRFANRHFSA-N
XLogP3.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 26900131) is N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1.
What is the InChIKey of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is FGNPRJBUNMNUIC-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-18(2)22-10-9-19(3)13-23(22)29-17-24(27)25-14-21-16-26(11-12-28-21)15-20-7-5-4-6-8-20/h4-10,13,18,21H,11-12,14-17H2,1-3H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 396.53 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 26900131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).