N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide

C15H22N2O2 — CID 54826343

IUPACN-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1cccc(NCC(=O)NC(C)CC)c1
InChIInChI=1S/C15H22N2O2/c1-4-9-19-14-8-6-7-13(10-14)16-11-15(18)17-12(3)5-2/h4,6-8,10,12,16H,1,5,9,11H2,2-3H3,(H,17,18)
InChIKeyLEPPRZLELNFLRC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.58
Rot. Bonds8

About N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide

N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide (PubChem CID 54826343) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
PubChem CID54826343
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1cccc(NCC(=O)NC(C)CC)c1
InChIInChI=1S/C15H22N2O2/c1-4-9-19-14-8-6-7-13(10-14)16-11-15(18)17-12(3)5-2/h4,6-8,10,12,16H,1,5,9,11H2,2-3H3,(H,17,18)
InChIKeyLEPPRZLELNFLRC-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
N-butan-2-yl-2-(3-hexoxyanilino)acetamide
CID 54823184
N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826479
N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828601
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54829963
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
CID 54823925
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide (CID 54826343) is N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide is C=CCOc1cccc(NCC(=O)NC(C)CC)c1.
What is the InChIKey of N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide?
The InChIKey is LEPPRZLELNFLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-9-19-14-8-6-7-13(10-14)16-11-15(18)17-12(3)5-2/h4,6-8,10,12,16H,1,5,9,11H2,2-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide?
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54826343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).