(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide

C24H37NO3 — CID 19171796

IUPAC(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC2CCCCCCCCCCC2)cc1OC
InChIInChI=1S/C24H37NO3/c1-3-28-22-17-15-20(19-23(22)27-2)16-18-24(26)25-21-13-11-9-7-5-4-6-8-10-12-14-21/h15-19,21H,3-14H2,1-2H3,(H,25,26)/b18-16+
InChIKeySYSUHTLFQJUKTP-FBMGVBCBSA-N
MW387.56 g/mol
LogP5.90
Rot. Bonds6

About (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide

(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide (PubChem CID 19171796) has the molecular formula C24H37NO3 and a molecular weight of 387.56 g/mol. Its IUPAC name is (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
PubChem CID19171796
Molecular FormulaC24H37NO3
Molecular Weight387.56 g/mol
Exact Mass387.28
IUPAC Name(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC2CCCCCCCCCCC2)cc1OC
InChIInChI=1S/C24H37NO3/c1-3-28-22-17-15-20(19-23(22)27-2)16-18-24(26)25-21-13-11-9-7-5-4-6-8-10-12-14-21/h15-19,21H,3-14H2,1-2H3,(H,25,26)/b18-16+
InChIKeySYSUHTLFQJUKTP-FBMGVBCBSA-N
XLogP5.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.56
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 19201331
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 39390754
3-(3-bromo-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 4108071
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7654012
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7654009
(E)-N-[(cyclopentylamino)methylsulfonyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 163212882
ethyl 2-[2-methoxy-4-[3-[(4-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenoxy]acetate
CID 54497397
3-(4-butoxy-3-methoxyphenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 78767416
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253561
3-[4-(2-chloroethoxy)-3-methoxyphenyl]-N-(4-methylcyclohexyl)prop-2-enamide
CID 54496870

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide (CID 19171796) is (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)NC2CCCCCCCCCCC2)cc1OC.
What is the InChIKey of (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
The InChIKey is SYSUHTLFQJUKTP-FBMGVBCBSA-N. The full InChI is InChI=1S/C24H37NO3/c1-3-28-22-17-15-20(19-23(22)27-2)16-18-24(26)25-21-13-11-9-7-5-4-6-8-10-12-14-21/h15-19,21H,3-14H2,1-2H3,(H,25,26)/b18-16+.
What are the key properties of (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide?
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide has a molecular weight of 387.56 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19171796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).