(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide

C22H28N2O3 — CID 27889691

IUPAC(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-21(27-20-6-4-3-5-7-20)22(25)23-16-18-8-10-19(11-9-18)17-24-12-14-26-15-13-24/h3-11,21H,2,12-17H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyCDTKHESHVPAKCS-NRFANRHFSA-N
MW368.48 g/mol
LogP2.99
Rot. Bonds8

About (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide

(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide (PubChem CID 27889691) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
PubChem CID27889691
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
SMILESCC[C@H](Oc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-21(27-20-6-4-3-5-7-20)22(25)23-16-18-8-10-19(11-9-18)17-24-12-14-26-15-13-24/h3-11,21H,2,12-17H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyCDTKHESHVPAKCS-NRFANRHFSA-N
XLogP2.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133204186
(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 99818249
(2S)-2-(4-methoxyphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015127
4-[(2-phenoxybutanoylamino)methyl]benzoic acid
CID 17171934
(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100700382
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133190452
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212
2-(2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 46767921
(2S)-2-phenoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31592208

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide?
The IUPAC name of (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide (CID 27889691) is (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide.
What is the SMILES notation for (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide?
The canonical SMILES for (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide is CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide?
The InChIKey is CDTKHESHVPAKCS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-21(27-20-6-4-3-5-7-20)22(25)23-16-18-8-10-19(11-9-18)17-24-12-14-26-15-13-24/h3-11,21H,2,12-17H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide?
(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide has a molecular weight of 368.48 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide is sourced from PubChem (CID 27889691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).