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

C23H30N2O4 — CID 27890430

IUPAC4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-27-21-8-10-22(11-9-21)29-14-2-3-23(26)24-17-19-4-6-20(7-5-19)18-25-12-15-28-16-13-25/h4-11H,2-3,12-18H2,1H3,(H,24,26)
InChIKeyYIKXQKKEEWFJAV-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.00
Rot. Bonds10

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

4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (PubChem CID 27890430) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
PubChem CID27890430
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
SMILESCOc1ccc(OCCCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-27-21-8-10-22(11-9-21)29-14-2-3-23(26)24-17-19-4-6-20(7-5-19)18-25-12-15-28-16-13-25/h4-11H,2-3,12-18H2,1H3,(H,24,26)
InChIKeyYIKXQKKEEWFJAV-UHFFFAOYSA-N
XLogP3.00
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 94134123
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55840604
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
N-[4-chloro-3-(morpholin-4-ylmethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 100651350
2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17473474
4-(4-methoxyphenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
CID 55519495
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
2-(4-anilinophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24652273
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide (CID 27890430) is 4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide is COc1ccc(OCCCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is YIKXQKKEEWFJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-27-21-8-10-22(11-9-21)29-14-2-3-23(26)24-17-19-4-6-20(7-5-19)18-25-12-15-28-16-13-25/h4-11H,2-3,12-18H2,1H3,(H,24,26).
What are the key properties of 4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide?
4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 398.50 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 27890430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).