N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide

C25H35N3O4 — CID 123375714

IUPACN-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide
SMILESCCc1cc(CC(N)CNC(=O)CCN2CCOCC2)cc(C)c1Oc1ccc(O)cc1
InChIInChI=1S/C25H35N3O4/c1-3-20-15-19(14-18(2)25(20)32-23-6-4-22(29)5-7-23)16-21(26)17-27-24(30)8-9-28-10-12-31-13-11-28/h4-7,14-15,21,29H,3,8-13,16-17,26H2,1-2H3,(H,27,30)
InChIKeyMJPQMVQBGNWGKW-UHFFFAOYSA-N
MW441.57 g/mol
LogP2.76
Rot. Bonds10

About N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide

N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide (PubChem CID 123375714) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide
PubChem CID123375714
Molecular FormulaC25H35N3O4
Molecular Weight441.57 g/mol
Exact Mass441.26
IUPAC NameN-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide
SMILESCCc1cc(CC(N)CNC(=O)CCN2CCOCC2)cc(C)c1Oc1ccc(O)cc1
InChIInChI=1S/C25H35N3O4/c1-3-20-15-19(14-18(2)25(20)32-23-6-4-22(29)5-7-23)16-21(26)17-27-24(30)8-9-28-10-12-31-13-11-28/h4-7,14-15,21,29H,3,8-13,16-17,26H2,1-2H3,(H,27,30)
InChIKeyMJPQMVQBGNWGKW-UHFFFAOYSA-N
XLogP2.76
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propyl]-3-morpholin-4-ylpropanamide
CID 71185156
ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide
CID 144504755
2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propanoic acid
CID 123414444
(6R)-6-amino-7-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-morpholin-4-ylheptan-3-one
CID 158514750
N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
CID 68721250
N-[(3-hydroxyphenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483703
2-[3-[[6-(2,3-diaminopropyl)-3-(4-hydroxyphenoxy)-2,4-dimethylphenyl]methyl]-4-(4-hydroxy-3-methylphenoxy)-5-methylphenyl]-1-morpholin-4-ylethanone
CID 123898355
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
N-[(3-aminophenyl)methyl]-3-morpholin-4-ylpropanamide
CID 110483704
N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide
CID 123574671
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
CID 123525070
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
CID 123425395

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide (CID 123375714) is N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide is CCc1cc(CC(N)CNC(=O)CCN2CCOCC2)cc(C)c1Oc1ccc(O)cc1.
What is the InChIKey of N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide?
The InChIKey is MJPQMVQBGNWGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-3-20-15-19(14-18(2)25(20)32-23-6-4-22(29)5-7-23)16-21(26)17-27-24(30)8-9-28-10-12-31-13-11-28/h4-7,14-15,21,29H,3,8-13,16-17,26H2,1-2H3,(H,27,30).
What are the key properties of N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide?
N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide has a molecular weight of 441.57 g/mol, XLogP of 2.76, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 123375714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).