N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide

C21H26N2O3 — CID 54826479

IUPACN-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1cccc(NCC(=O)Nc2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-13-25-20-8-6-7-18(14-20)22-15-21(24)23-17-9-11-19(12-10-17)26-16(3)5-2/h4,6-12,14,16,22H,1,5,13,15H2,2-3H3,(H,23,24)
InChIKeyWYMVXIDMZXGMKT-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.48
Rot. Bonds10

About N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide

N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide (PubChem CID 54826479) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
PubChem CID54826479
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1cccc(NCC(=O)Nc2ccc(OC(C)CC)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-13-25-20-8-6-7-18(14-20)22-15-21(24)23-17-9-11-19(12-10-17)26-16(3)5-2/h4,6-12,14,16,22H,1,5,13,15H2,2-3H3,(H,23,24)
InChIKeyWYMVXIDMZXGMKT-UHFFFAOYSA-N
XLogP4.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.48
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

2-(3-butan-2-yloxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54829963
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
CID 54826343
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
2-anilino-N-(4-butan-2-yloxyphenyl)acetamide
CID 54810187
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831493
2-methyl-N-[3-[[2-oxo-2-(3-prop-2-enoxyanilino)ethyl]amino]phenyl]propanamide
CID 54831765
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830461
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide (CID 54826479) is N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide is C=CCOc1cccc(NCC(=O)Nc2ccc(OC(C)CC)cc2)c1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide?
The InChIKey is WYMVXIDMZXGMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-13-25-20-8-6-7-18(14-20)22-15-21(24)23-17-9-11-19(12-10-17)26-16(3)5-2/h4,6-12,14,16,22H,1,5,13,15H2,2-3H3,(H,23,24).
What are the key properties of N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide?
N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54826479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).