N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide

C16H23NO3 — CID 15456471

IUPACN-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide
SMILESCCOC(C/C=C/c1cccc(NC(C)=O)c1)OCC
InChIInChI=1S/C16H23NO3/c1-4-19-16(20-5-2)11-7-9-14-8-6-10-15(12-14)17-13(3)18/h6-10,12,16H,4-5,11H2,1-3H3,(H,17,18)/b9-7+
InChIKeySKMLZBJJKRNLBV-VQHVLOKHSA-N
MW277.36 g/mol
LogP3.45
Rot. Bonds8

About N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide

N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide (PubChem CID 15456471) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide
PubChem CID15456471
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide
SMILESCCOC(C/C=C/c1cccc(NC(C)=O)c1)OCC
InChIInChI=1S/C16H23NO3/c1-4-19-16(20-5-2)11-7-9-14-8-6-10-15(12-14)17-13(3)18/h6-10,12,16H,4-5,11H2,1-3H3,(H,17,18)/b9-7+
InChIKeySKMLZBJJKRNLBV-VQHVLOKHSA-N
XLogP3.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712801
3-(3-acetamidophenyl)prop-2-enamide
CID 169482180
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
N-[3-(2-cyanoethenyl)phenyl]acetamide
CID 169483845
tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate
CID 169466624
1-[3-(3-hydroxyprop-1-enyl)phenyl]-3-propan-2-ylurea
CID 77340421
1-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-propylurea
CID 67712663
tert-butyl N-[3-(3-chloroprop-1-enyl)phenyl]carbamate
CID 169478424
ethyl 3-acetamidobenzoate
CID 700589
N-[3-[(hydroxyhydrazinylidene)methyl]phenyl]acetamide
CID 139271110
3-[3-(propanoylamino)phenyl]prop-2-enoic acid
CID 76907771
ethyl (E)-3-[4-[(3-acetamidobenzoyl)amino]phenyl]prop-2-enoate
CID 27902085

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide (CID 15456471) is N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide is CCOC(C/C=C/c1cccc(NC(C)=O)c1)OCC.
What is the InChIKey of N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide?
The InChIKey is SKMLZBJJKRNLBV-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-19-16(20-5-2)11-7-9-14-8-6-10-15(12-14)17-13(3)18/h6-10,12,16H,4-5,11H2,1-3H3,(H,17,18)/b9-7+.
What are the key properties of N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide?
N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-4,4-diethoxybut-1-enyl]phenyl]acetamide is sourced from PubChem (CID 15456471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).