(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide

C18H27NO3 — CID 84557501

IUPAC(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide
SMILESCOc1cc(C)c(/C=C/C(=O)NCCCOC(C)C)c(C)c1
InChIInChI=1S/C18H27NO3/c1-13(2)22-10-6-9-19-18(20)8-7-17-14(3)11-16(21-5)12-15(17)4/h7-8,11-13H,6,9-10H2,1-5H3,(H,19,20)/b8-7+
InChIKeyKDELVEVDPJYNFK-BQYQJAHWSA-N
MW305.42 g/mol
LogP3.26
Rot. Bonds8

About (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide (PubChem CID 84557501) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide
PubChem CID84557501
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide
SMILESCOc1cc(C)c(/C=C/C(=O)NCCCOC(C)C)c(C)c1
InChIInChI=1S/C18H27NO3/c1-13(2)22-10-6-9-19-18(20)8-7-17-14(3)11-16(21-5)12-15(17)4/h7-8,11-13H,6,9-10H2,1-5H3,(H,19,20)/b8-7+
InChIKeyKDELVEVDPJYNFK-BQYQJAHWSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.26
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)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 84558392
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
CID 84557751
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 84557468
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 84557472
N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4241398
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(naphthalen-1-ylamino)ethyl]prop-2-enamide
CID 84552085
(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84558290
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552099
propyl 4-[[(E)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoyl]amino]benzoate
CID 84551920
(E)-3-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 35742707

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide (CID 84557501) is (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide is COc1cc(C)c(/C=C/C(=O)NCCCOC(C)C)c(C)c1.
What is the InChIKey of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide?
The InChIKey is KDELVEVDPJYNFK-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(2)22-10-6-9-19-18(20)8-7-17-14(3)11-16(21-5)12-15(17)4/h7-8,11-13H,6,9-10H2,1-5H3,(H,19,20)/b8-7+.
What are the key properties of (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide?
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide has a molecular weight of 305.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide is sourced from PubChem (CID 84557501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).