N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide

C21H19N3O3 — CID 155647381

IUPACN-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(-c2ccc(/C=C/C(=O)c3ncc[nH]3)cc2)c1
InChIInChI=1S/C21H19N3O3/c1-14(25)24-19-9-8-17(27-2)13-18(19)16-6-3-15(4-7-16)5-10-20(26)21-22-11-12-23-21/h3-13H,1-2H3,(H,22,23)(H,24,25)/b10-5+
InChIKeyWARLGQZDUPHCQG-BJMVGYQFSA-N
MW361.40 g/mol
LogP3.94
Rot. Bonds6

About N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide

N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide (PubChem CID 155647381) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide
PubChem CID155647381
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(-c2ccc(/C=C/C(=O)c3ncc[nH]3)cc2)c1
InChIInChI=1S/C21H19N3O3/c1-14(25)24-19-9-8-17(27-2)13-18(19)16-6-3-15(4-7-16)5-10-20(26)21-22-11-12-23-21/h3-13H,1-2H3,(H,22,23)(H,24,25)/b10-5+
InChIKeyWARLGQZDUPHCQG-BJMVGYQFSA-N
XLogP3.94
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
(E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 51059619
N-(4-methoxy-2-phenylphenyl)acetamide;N-(4-methoxy-2-phenylphenyl)formamide
CID 145233862
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 60576632
N-[4-[3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 54182720
3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 76879130
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6447960
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120
ethane;methyl acetate;methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 142213169
(E)-3-(4-methoxyphenyl)-1-[5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-pyridinyl]prop-2-en-1-one
CID 10453539
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide (CID 155647381) is N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)c(-c2ccc(/C=C/C(=O)c3ncc[nH]3)cc2)c1.
What is the InChIKey of N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide?
The InChIKey is WARLGQZDUPHCQG-BJMVGYQFSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14(25)24-19-9-8-17(27-2)13-18(19)16-6-3-15(4-7-16)5-10-20(26)21-22-11-12-23-21/h3-13H,1-2H3,(H,22,23)(H,24,25)/b10-5+.
What are the key properties of N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide?
N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide has a molecular weight of 361.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(E)-3-(1H-imidazol-2-yl)-3-oxoprop-1-enyl]phenyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 155647381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).