N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide

C23H27NO3 — CID 70372211

IUPACN-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide
SMILESCCCCOc1ccc(C=CC(=O)c2ccccc2CCNC(C)=O)cc1
InChIInChI=1S/C23H27NO3/c1-3-4-17-27-21-12-9-19(10-13-21)11-14-23(26)22-8-6-5-7-20(22)15-16-24-18(2)25/h5-14H,3-4,15-17H2,1-2H3,(H,24,25)
InChIKeyYODVSWVKOIXDQK-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.44
Rot. Bonds10

About N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide

N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide (PubChem CID 70372211) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide
PubChem CID70372211
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC NameN-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide
SMILESCCCCOc1ccc(C=CC(=O)c2ccccc2CCNC(C)=O)cc1
InChIInChI=1S/C23H27NO3/c1-3-4-17-27-21-12-9-19(10-13-21)11-14-23(26)22-8-6-5-7-20(22)15-16-24-18(2)25/h5-14H,3-4,15-17H2,1-2H3,(H,24,25)
InChIKeyYODVSWVKOIXDQK-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(2-methoxyphenyl)-3-(4-pentoxyphenyl)prop-2-en-1-one
CID 19566910
4-(4-butoxyphenyl)but-3-en-2-one
CID 2772143
methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate
CID 146673178
N-[2-[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoyl]phenyl]ethyl]acetamide
CID 14361386
(E)-3-(3-butoxyphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 89063546
(E)-1-(4-hexadecoxyphenyl)-3-(4-tetradecoxyphenyl)prop-2-en-1-one
CID 132575724
N-[3-(4-octoxyphenyl)prop-2-enyl]acetamide
CID 169466608
N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 76857065
3-[4-[3-(2-propylphenoxy)propoxy]phenyl]prop-2-enoic acid
CID 70495721
N-[2-[7-(4-naphthalen-2-yloxybutoxy)naphthalen-1-yl]ethyl]acetamide
CID 90888260
3-(4-butoxyphenyl)-1-(1-difluoroboranyloxynaphthalen-2-yl)prop-2-en-1-one
CID 4247497
(Z)-3-[4-[3-[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenoxy]propoxy]phenyl]-1-phenylprop-2-en-1-one
CID 92531173

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide (CID 70372211) is N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide is CCCCOc1ccc(C=CC(=O)c2ccccc2CCNC(C)=O)cc1.
What is the InChIKey of N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide?
The InChIKey is YODVSWVKOIXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-4-17-27-21-12-9-19(10-13-21)11-14-23(26)22-8-6-5-7-20(22)15-16-24-18(2)25/h5-14H,3-4,15-17H2,1-2H3,(H,24,25).
What are the key properties of N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide?
N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide has a molecular weight of 365.47 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(4-butoxyphenyl)prop-2-enoyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 70372211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).