N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide

C15H20N2O3 — CID 47078342

IUPACN-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide
SMILESC=CCCOCC(=O)Nc1cccc(NC(=O)CC)c1
InChIInChI=1S/C15H20N2O3/c1-3-5-9-20-11-15(19)17-13-8-6-7-12(10-13)16-14(18)4-2/h3,6-8,10H,1,4-5,9,11H2,2H3,(H,16,18)(H,17,19)
InChIKeyXXSUDAYDGMVPJQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.57
Rot. Bonds8

About N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide

N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide (PubChem CID 47078342) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide
PubChem CID47078342
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide
SMILESC=CCCOCC(=O)Nc1cccc(NC(=O)CC)c1
InChIInChI=1S/C15H20N2O3/c1-3-5-9-20-11-15(19)17-13-8-6-7-12(10-13)16-14(18)4-2/h3,6-8,10H,1,4-5,9,11H2,2H3,(H,16,18)(H,17,19)
InChIKeyXXSUDAYDGMVPJQ-UHFFFAOYSA-N
XLogP2.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide
CID 104583829
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-[3-(propanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 17188298
N-[3-(bromomethyl)phenyl]-2-propoxyacetamide
CID 107941211
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
N-[3-(bromomethyl)phenyl]-2-ethoxyacetamide
CID 114307296
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
2-(2-but-3-enoxyethylamino)-N-(3-fluorophenyl)acetamide
CID 106401479
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678314

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide?
The IUPAC name of N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide (CID 47078342) is N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide?
The canonical SMILES for N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide is C=CCCOCC(=O)Nc1cccc(NC(=O)CC)c1.
What is the InChIKey of N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide?
The InChIKey is XXSUDAYDGMVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-5-9-20-11-15(19)17-13-8-6-7-12(10-13)16-14(18)4-2/h3,6-8,10H,1,4-5,9,11H2,2H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide?
N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 47078342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).