(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide

C25H39NO2 — CID 19201438

IUPAC(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide
SMILESCCCCOc1ccccc1/C=C/C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C25H39NO2/c1-2-3-21-28-24-18-14-13-15-22(24)19-20-25(27)26-23-16-11-9-7-5-4-6-8-10-12-17-23/h13-15,18-20,23H,2-12,16-17,21H2,1H3,(H,26,27)/b20-19+
InChIKeyZXIYGTYQTBGBHZ-FMQUCBEESA-N
MW385.59 g/mol
LogP6.67
Rot. Bonds7

About (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide

(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide (PubChem CID 19201438) has the molecular formula C25H39NO2 and a molecular weight of 385.59 g/mol. Its IUPAC name is (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide
PubChem CID19201438
Molecular FormulaC25H39NO2
Molecular Weight385.59 g/mol
Exact Mass385.30
IUPAC Name(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide
SMILESCCCCOc1ccccc1/C=C/C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C25H39NO2/c1-2-3-21-28-24-18-14-13-15-22(24)19-20-25(27)26-23-16-11-9-7-5-4-6-8-10-12-17-23/h13-15,18-20,23H,2-12,16-17,21H2,1H3,(H,26,27)/b20-19+
InChIKeyZXIYGTYQTBGBHZ-FMQUCBEESA-N
XLogP6.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 114550303
(E)-N-cyclohexyl-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057820
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
CID 83203007
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
[1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 42986018
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide?
The IUPAC name of (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide (CID 19201438) is (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide?
The canonical SMILES for (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide is CCCCOc1ccccc1/C=C/C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide?
The InChIKey is ZXIYGTYQTBGBHZ-FMQUCBEESA-N. The full InChI is InChI=1S/C25H39NO2/c1-2-3-21-28-24-18-14-13-15-22(24)19-20-25(27)26-23-16-11-9-7-5-4-6-8-10-12-17-23/h13-15,18-20,23H,2-12,16-17,21H2,1H3,(H,26,27)/b20-19+.
What are the key properties of (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide?
(E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide has a molecular weight of 385.59 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-butoxyphenyl)-N-cyclododecylprop-2-enamide is sourced from PubChem (CID 19201438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).