N-(3-butylphenyl)-3-methoxybut-2-enamide

C15H21NO2 — CID 54048877

IUPACN-(3-butylphenyl)-3-methoxybut-2-enamide
SMILESCCCCc1cccc(NC(=O)C=C(C)OC)c1
InChIInChI=1S/C15H21NO2/c1-4-5-7-13-8-6-9-14(11-13)16-15(17)10-12(2)18-3/h6,8-11H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyLRMFSLMKBNUULT-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.52
Rot. Bonds6

About N-(3-butylphenyl)-3-methoxybut-2-enamide

N-(3-butylphenyl)-3-methoxybut-2-enamide (PubChem CID 54048877) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-butylphenyl)-3-methoxybut-2-enamide.

Molecular Properties

Compound NameN-(3-butylphenyl)-3-methoxybut-2-enamide
PubChem CID54048877
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3-butylphenyl)-3-methoxybut-2-enamide
SMILESCCCCc1cccc(NC(=O)C=C(C)OC)c1
InChIInChI=1S/C15H21NO2/c1-4-5-7-13-8-6-9-14(11-13)16-15(17)10-12(2)18-3/h6,8-11H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyLRMFSLMKBNUULT-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-methoxybut-2-enamide
CID 54455732
[3-(3-methoxybut-2-enoylamino)phenyl] pentanoate
CID 54555252
(E)-N-(3-butanoylphenyl)-3-methoxybut-2-enamide
CID 21445123
N-(3-bromophenyl)-3-methoxybut-2-enamide
CID 54535073
3-chloro-N-(3-pentylphenyl)propanamide
CID 46837314
N-[3-(ethylaminomethyl)phenyl]-3-methylbut-2-enamide
CID 43601289
1-N,2-N,3-N-tris(3-butylphenyl)propane-1,2,3-tricarboxamide
CID 67992270
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
[4-(3-hexylanilino)-4-oxobutyl]phosphonic acid
CID 130432103
N-(3-ethylphenyl)decanamide
CID 4053743
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212

Frequently Asked Questions

What is the IUPAC name of N-(3-butylphenyl)-3-methoxybut-2-enamide?
The IUPAC name of N-(3-butylphenyl)-3-methoxybut-2-enamide (CID 54048877) is N-(3-butylphenyl)-3-methoxybut-2-enamide.
What is the SMILES notation for N-(3-butylphenyl)-3-methoxybut-2-enamide?
The canonical SMILES for N-(3-butylphenyl)-3-methoxybut-2-enamide is CCCCc1cccc(NC(=O)C=C(C)OC)c1.
What is the InChIKey of N-(3-butylphenyl)-3-methoxybut-2-enamide?
The InChIKey is LRMFSLMKBNUULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-5-7-13-8-6-9-14(11-13)16-15(17)10-12(2)18-3/h6,8-11H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of N-(3-butylphenyl)-3-methoxybut-2-enamide?
N-(3-butylphenyl)-3-methoxybut-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butylphenyl)-3-methoxybut-2-enamide is sourced from PubChem (CID 54048877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).