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

C23H30N2O3 — CID 94134123

IUPAC4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCc1ccc(OCCCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-19-7-9-22(10-8-19)28-13-3-6-23(26)24-17-20-4-2-5-21(16-20)18-25-11-14-27-15-12-25/h2,4-5,7-10,16H,3,6,11-15,17-18H2,1H3,(H,24,26)
InChIKeyKNKTXWLSGQPLFC-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.30
Rot. Bonds9

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

4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (PubChem CID 94134123) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
PubChem CID94134123
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCc1ccc(OCCCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-19-7-9-22(10-8-19)28-13-3-6-23(26)24-17-20-4-2-5-21(16-20)18-25-11-14-27-15-12-25/h2,4-5,7-10,16H,3,6,11-15,17-18H2,1H3,(H,24,26)
InChIKeyKNKTXWLSGQPLFC-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 24549518
4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27890430
2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55969614
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55970132
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 31644615
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2-(4-methylphenyl)sulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190400
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-morpholin-4-ylacetamide
CID 75499508
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (CID 94134123) is 4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide is Cc1ccc(OCCCC(=O)NCc2cccc(CN3CCOCC3)c2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is KNKTXWLSGQPLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-19-7-9-22(10-8-19)28-13-3-6-23(26)24-17-20-4-2-5-21(16-20)18-25-11-14-27-15-12-25/h2,4-5,7-10,16H,3,6,11-15,17-18H2,1H3,(H,24,26).
What are the key properties of 4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 382.50 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 94134123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).