ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide

C28H44N2O4 — CID 144504755

IUPACethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide
SMILESCC.CC.Cc1cc(CCCNC(=O)CCN2CCOCC2)cc(C)c1Oc1ccc(O)cc1
InChIInChI=1S/C24H32N2O4.2C2H6/c1-18-16-20(17-19(2)24(18)30-22-7-5-21(27)6-8-22)4-3-10-25-23(28)9-11-26-12-14-29-15-13-26;2*1-2/h5-8,16-17,27H,3-4,9-15H2,1-2H3,(H,25,28);2*1-2H3
InChIKeyUVGKMPKSWGHEEP-UHFFFAOYSA-N
MW472.67 g/mol
LogP5.62
Rot. Bonds9

About ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide

ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide (PubChem CID 144504755) has the molecular formula C28H44N2O4 and a molecular weight of 472.67 g/mol. Its IUPAC name is ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound Nameethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide
PubChem CID144504755
Molecular FormulaC28H44N2O4
Molecular Weight472.67 g/mol
Exact Mass472.33
IUPAC Nameethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide
SMILESCC.CC.Cc1cc(CCCNC(=O)CCN2CCOCC2)cc(C)c1Oc1ccc(O)cc1
InChIInChI=1S/C24H32N2O4.2C2H6/c1-18-16-20(17-19(2)24(18)30-22-7-5-21(27)6-8-22)4-3-10-25-23(28)9-11-26-12-14-29-15-13-26;2*1-2/h5-8,16-17,27H,3-4,9-15H2,1-2H3,(H,25,28);2*1-2H3
InChIKeyUVGKMPKSWGHEEP-UHFFFAOYSA-N
XLogP5.62
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide
CID 123375714
N-[(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propyl]-3-morpholin-4-ylpropanamide
CID 71185156
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
CID 123425395
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
CID 123525070
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 108792020
N-[2-(6-methoxy-3-oxido-1,3-benzoxazol-3-ium-2-yl)ethyl]-3-morpholin-4-ylpropanamide
CID 67786877
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
CID 43916472

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide (CID 144504755) is ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide is CC.CC.Cc1cc(CCCNC(=O)CCN2CCOCC2)cc(C)c1Oc1ccc(O)cc1.
What is the InChIKey of ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide?
The InChIKey is UVGKMPKSWGHEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4.2C2H6/c1-18-16-20(17-19(2)24(18)30-22-7-5-21(27)6-8-22)4-3-10-25-23(28)9-11-26-12-14-29-15-13-26;2*1-2/h5-8,16-17,27H,3-4,9-15H2,1-2H3,(H,25,28);2*1-2H3.
What are the key properties of ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide?
ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide has a molecular weight of 472.67 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 144504755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).