ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide

C25H39N3O2 — CID 143210969

IUPACethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide
SMILESC=C.C=C.CC.CNc1ccc(CCN(C)CCOc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H25N3O2.C2H6.2C2H4/c1-21-17-7-3-15(4-8-17)11-12-22(2)13-14-24-18-9-5-16(6-10-18)19(20)23;3*1-2/h3-10,21H,11-14H2,1-2H3,(H2,20,23);1-2H3;2*1-2H2
InChIKeyHCOVUCUBXNHAMK-UHFFFAOYSA-N
MW413.61 g/mol
LogP5.01
Rot. Bonds9

About ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide

ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide (PubChem CID 143210969) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide.

Molecular Properties

Compound Nameethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide
PubChem CID143210969
Molecular FormulaC25H39N3O2
Molecular Weight413.61 g/mol
Exact Mass413.30
IUPAC Nameethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide
SMILESC=C.C=C.CC.CNc1ccc(CCN(C)CCOc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H25N3O2.C2H6.2C2H4/c1-21-17-7-3-15(4-8-17)11-12-22(2)13-14-24-18-9-5-16(6-10-18)19(20)23;3*1-2/h3-10,21H,11-14H2,1-2H3,(H2,20,23);1-2H3;2*1-2H2
InChIKeyHCOVUCUBXNHAMK-UHFFFAOYSA-N
XLogP5.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
N-[4-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]phenyl]methanesulfinamide
CID 142074181
N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 54136082
3-[4-[2-[methyl(2-phenylethyl)amino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 143629597
4-[3-[(4-ethoxyphenyl)methyl-methylamino]propanoylamino]benzamide
CID 46683346
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
2-[2-(4-aminophenyl)ethyl-[2-[4-(methanesulfonamido)phenoxy]ethyl]amino]-N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]ethanesulfonamide
CID 59046007
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]-N-methylacetamide
CID 43374648
4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide
CID 55214410
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide?
The IUPAC name of ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide (CID 143210969) is ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide.
What is the SMILES notation for ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide?
The canonical SMILES for ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide is C=C.C=C.CC.CNc1ccc(CCN(C)CCOc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide?
The InChIKey is HCOVUCUBXNHAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.C2H6.2C2H4/c1-21-17-7-3-15(4-8-17)11-12-22(2)13-14-24-18-9-5-16(6-10-18)19(20)23;3*1-2/h3-10,21H,11-14H2,1-2H3,(H2,20,23);1-2H3;2*1-2H2.
What are the key properties of ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide?
ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide has a molecular weight of 413.61 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;4-[2-[methyl-[2-[4-(methylamino)phenyl]ethyl]amino]ethoxy]benzamide is sourced from PubChem (CID 143210969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).