(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide

C23H30N2O3 — CID 99818249

IUPAC(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H30N2O3/c1-3-22(28-21-9-4-6-18(2)14-21)23(26)24-16-19-7-5-8-20(15-19)17-25-10-12-27-13-11-25/h4-9,14-15,22H,3,10-13,16-17H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyDWGJDVPRQPOPEC-QFIPXVFZSA-N
MW382.50 g/mol
LogP3.30
Rot. Bonds8

About (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide

(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (PubChem CID 99818249) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
PubChem CID99818249
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H30N2O3/c1-3-22(28-21-9-4-6-18(2)14-21)23(26)24-16-19-7-5-8-20(15-19)17-25-10-12-27-13-11-25/h4-9,14-15,22H,3,10-13,16-17H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyDWGJDVPRQPOPEC-QFIPXVFZSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133190452
(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
CID 27889691
2-(3-chlorophenoxy)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133189215
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
2-(4-ethylphenoxy)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133189295
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133187856
2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133204186
2-(2-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190446
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
2-(4-methylphenyl)sulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (CID 99818249) is (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide is CC[C@H](Oc1cccc(C)c1)C(=O)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is DWGJDVPRQPOPEC-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-22(28-21-9-4-6-18(2)14-21)23(26)24-16-19-7-5-8-20(15-19)17-25-10-12-27-13-11-25/h4-9,14-15,22H,3,10-13,16-17H2,1-2H3,(H,24,26)/t22-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
(2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 382.50 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 99818249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).