N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide

C30H29NO7 — CID 78102622

IUPACN-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
SMILESCOc1cc(C=CC(=O)C(C(=O)C=Cc2ccc(O)c(OC)c2)C(NC(C)=O)c2ccccc2)ccc1O
InChIInChI=1S/C30H29NO7/c1-19(32)31-30(22-7-5-4-6-8-22)29(25(35)15-11-20-9-13-23(33)27(17-20)37-2)26(36)16-12-21-10-14-24(34)28(18-21)38-3/h4-18,29-30,33-34H,1-3H3,(H,31,32)
InChIKeyMFGKTJYIVHRKLY-UHFFFAOYSA-N
MW515.56 g/mol
LogP4.47
Rot. Bonds11

About N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide

N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide (PubChem CID 78102622) has the molecular formula C30H29NO7 and a molecular weight of 515.56 g/mol. Its IUPAC name is N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
PubChem CID78102622
Molecular FormulaC30H29NO7
Molecular Weight515.56 g/mol
Exact Mass515.19
IUPAC NameN-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide
SMILESCOc1cc(C=CC(=O)C(C(=O)C=Cc2ccc(O)c(OC)c2)C(NC(C)=O)c2ccccc2)ccc1O
InChIInChI=1S/C30H29NO7/c1-19(32)31-30(22-7-5-4-6-8-22)29(25(35)15-11-20-9-13-23(33)27(17-20)37-2)26(36)16-12-21-10-14-24(34)28(18-21)38-3/h4-18,29-30,33-34H,1-3H3,(H,31,32)
InChIKeyMFGKTJYIVHRKLY-UHFFFAOYSA-N
XLogP4.47
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.56
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-(3-bromophenyl)-5-(4-hydroxy-3-methoxyphenyl)-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxopent-4-enyl]acetamide
CID 71535628
N-[5-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-oxo-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]acetamide
CID 78102524
N-[(E)-5-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-1-(2-fluorophenyl)-3-oxopent-4-enyl]acetamide
CID 71535344
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
1-phenylethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 20980889
[(1S)-1-phenylethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 8663438
4-[(1E,6E)-4-[acetamido-(4-carboxyphenyl)methyl]-7-(4-carboxyphenyl)-3,5-dioxohepta-1,6-dienyl]benzoic acid
CID 89473348
(3S)-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]-3-phenylbutanoic acid
CID 163069387
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 2342829
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide?
The IUPAC name of N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide (CID 78102622) is N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide.
What is the SMILES notation for N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide?
The canonical SMILES for N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide is COc1cc(C=CC(=O)C(C(=O)C=Cc2ccc(O)c(OC)c2)C(NC(C)=O)c2ccccc2)ccc1O.
What is the InChIKey of N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide?
The InChIKey is MFGKTJYIVHRKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO7/c1-19(32)31-30(22-7-5-4-6-8-22)29(25(35)15-11-20-9-13-23(33)27(17-20)37-2)26(36)16-12-21-10-14-24(34)28(18-21)38-3/h4-18,29-30,33-34H,1-3H3,(H,31,32).
What are the key properties of N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide?
N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide has a molecular weight of 515.56 g/mol, XLogP of 4.47, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-oxo-1-phenylpent-4-enyl]acetamide is sourced from PubChem (CID 78102622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).