(E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide

C21H31NO3 — CID 19201331

IUPAC(E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC2CCCCC2)ccc1OCCC(C)C
InChIInChI=1S/C21H31NO3/c1-16(2)13-14-25-19-11-9-17(15-20(19)24-3)10-12-21(23)22-18-7-5-4-6-8-18/h9-12,15-16,18H,4-8,13-14H2,1-3H3,(H,22,23)/b12-10+
InChIKeyACKXEBOATMFJDX-ZRDIBKRKSA-N
MW345.48 g/mol
LogP4.58
Rot. Bonds8

About (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide

(E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide (PubChem CID 19201331) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
PubChem CID19201331
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name(E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC2CCCCC2)ccc1OCCC(C)C
InChIInChI=1S/C21H31NO3/c1-16(2)13-14-25-19-11-9-17(15-20(19)24-3)10-12-21(23)22-18-7-5-4-6-8-18/h9-12,15-16,18H,4-8,13-14H2,1-3H3,(H,22,23)/b12-10+
InChIKeyACKXEBOATMFJDX-ZRDIBKRKSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.58
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

(Z)-3-[3-amino-4-(3-methylbutoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 94759664
(E)-N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 19171796
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
(E)-N-tert-butyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 19201281
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
3-[4-(2-chloroethoxy)-3-methoxyphenyl]-N-(4-methylcyclohexyl)prop-2-enamide
CID 54496870
(E)-3-(3-amino-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 39390754
3-(4-butoxy-3-methoxyphenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 78767416
3-(3-bromo-4-methoxyphenyl)-N-cycloheptylprop-2-enamide
CID 4108071
(E)-3-[4-(5-chloropentoxy)-3-methoxyphenyl]-N-(4-methylcyclohexyl)prop-2-enamide
CID 19004737
N-(4-iodophenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4590678
N-[2,6-di(propan-2-yl)phenyl]-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 3319250

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide (CID 19201331) is (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)NC2CCCCC2)ccc1OCCC(C)C.
What is the InChIKey of (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide?
The InChIKey is ACKXEBOATMFJDX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H31NO3/c1-16(2)13-14-25-19-11-9-17(15-20(19)24-3)10-12-21(23)22-18-7-5-4-6-8-18/h9-12,15-16,18H,4-8,13-14H2,1-3H3,(H,22,23)/b12-10+.
What are the key properties of (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide?
(E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide has a molecular weight of 345.48 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 19201331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).