N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide

C24H29NO4 — CID 6216700

IUPACN,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2ccccc2OC(C)C)cc1
InChIInChI=1S/C24H29NO4/c1-5-25(6-2)24(27)17-28-21-14-11-19(12-15-21)22(26)16-13-20-9-7-8-10-23(20)29-18(3)4/h7-16,18H,5-6,17H2,1-4H3/b16-13+
InChIKeyLXHVRJGRDKLPDJ-DTQAZKPQSA-N
MW395.50 g/mol
LogP4.62
Rot. Bonds10

About N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide

N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide (PubChem CID 6216700) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide
PubChem CID6216700
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC NameN,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2ccccc2OC(C)C)cc1
InChIInChI=1S/C24H29NO4/c1-5-25(6-2)24(27)17-28-21-14-11-19(12-15-21)22(26)16-13-20-9-7-8-10-23(20)29-18(3)4/h7-16,18H,5-6,17H2,1-4H3/b16-13+
InChIKeyLXHVRJGRDKLPDJ-DTQAZKPQSA-N
XLogP4.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54513163
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 75894759
2-[4-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830404
N-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528877
2-[4-[(E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]-N,N-diethylacetamide
CID 29356514
2-[4-[(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 8827264
2-[4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]phenoxy]-N,N-diethylacetamide
CID 8684769
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
2-[4-[(E)-3-[2-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]phenoxy]acetate
CID 9447772
3-[2,4-di(propan-2-yloxy)phenyl]-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 54041643
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide (CID 6216700) is N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide is CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2ccccc2OC(C)C)cc1.
What is the InChIKey of N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide?
The InChIKey is LXHVRJGRDKLPDJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H29NO4/c1-5-25(6-2)24(27)17-28-21-14-11-19(12-15-21)22(26)16-13-20-9-7-8-10-23(20)29-18(3)4/h7-16,18H,5-6,17H2,1-4H3/b16-13+.
What are the key properties of N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide?
N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenoxy]acetamide is sourced from PubChem (CID 6216700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).