2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide

C16H24N2O2 — CID 143578893

IUPAC2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide
SMILESC=CNC(Cc1ccc(OCCC(C)C)cc1)C(N)=O
InChIInChI=1S/C16H24N2O2/c1-4-18-15(16(17)19)11-13-5-7-14(8-6-13)20-10-9-12(2)3/h4-8,12,15,18H,1,9-11H2,2-3H3,(H2,17,19)
InChIKeyJQQZIWKVXBCBTK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds9

About 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide

2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide (PubChem CID 143578893) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide
PubChem CID143578893
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide
SMILESC=CNC(Cc1ccc(OCCC(C)C)cc1)C(N)=O
InChIInChI=1S/C16H24N2O2/c1-4-18-15(16(17)19)11-13-5-7-14(8-6-13)20-10-9-12(2)3/h4-8,12,15,18H,1,9-11H2,2-3H3,(H2,17,19)
InChIKeyJQQZIWKVXBCBTK-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-3-methyl-2-[[4-(3-methylbutoxy)phenyl]methyl]butanoate
CID 134353754
2-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid;hydrochloride
CID 118157824
[1-amino-1-oxo-3-(4-prop-2-enoxyphenyl)propan-2-yl]carbamic acid
CID 90134477
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
(3R)-4-(4-butoxyphenyl)-3-hydrazinylbutan-2-one
CID 71196039
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]acetamide
CID 119311263
methyl 3-(4-butoxyphenyl)-2-formamidopropanoate
CID 90060303
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998

Frequently Asked Questions

What is the IUPAC name of 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide?
The IUPAC name of 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide (CID 143578893) is 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide.
What is the SMILES notation for 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide?
The canonical SMILES for 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide is C=CNC(Cc1ccc(OCCC(C)C)cc1)C(N)=O.
What is the InChIKey of 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide?
The InChIKey is JQQZIWKVXBCBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-18-15(16(17)19)11-13-5-7-14(8-6-13)20-10-9-12(2)3/h4-8,12,15,18H,1,9-11H2,2-3H3,(H2,17,19).
What are the key properties of 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide?
2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylamino)-3-[4-(3-methylbutoxy)phenyl]propanamide is sourced from PubChem (CID 143578893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).