N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide

C20H21NO3 — CID 35745930

IUPACN-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2OC(C)C)c1
InChIInChI=1S/C20H21NO3/c1-14(2)24-20-10-5-4-7-16(20)11-12-19(23)17-8-6-9-18(13-17)21-15(3)22/h4-14H,1-3H3,(H,21,22)/b12-11+
InChIKeyDCGIUBAWXKINAF-VAWYXSNFSA-N
MW323.39 g/mol
LogP4.33
Rot. Bonds6

About N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide

N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide (PubChem CID 35745930) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide
PubChem CID35745930
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2OC(C)C)c1
InChIInChI=1S/C20H21NO3/c1-14(2)24-20-10-5-4-7-16(20)11-12-19(23)17-8-6-9-18(13-17)21-15(3)22/h4-14H,1-3H3,(H,21,22)/b12-11+
InChIKeyDCGIUBAWXKINAF-VAWYXSNFSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.33
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

N-[3-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 7947701
1-phenyl-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 70288078
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N-[3-[(E)-3-[2-(difluoromethoxy)naphthalen-1-yl]prop-2-enoyl]phenyl]acetamide
CID 8858867
N-[3-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenyl]acetamide
CID 9185870
N-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528877
N-[4-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 4143798
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
1-[3-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]phenyl]-3-phenylurea
CID 11188838
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
N-[3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]phenyl]acetamide
CID 52643191
N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 2832490

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide (CID 35745930) is N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)/C=C/c2ccccc2OC(C)C)c1.
What is the InChIKey of N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is DCGIUBAWXKINAF-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H21NO3/c1-14(2)24-20-10-5-4-7-16(20)11-12-19(23)17-8-6-9-18(13-17)21-15(3)22/h4-14H,1-3H3,(H,21,22)/b12-11+.
What are the key properties of N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 323.39 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 35745930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).