methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate

C23H25NO4 — CID 72685520

IUPACmethyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(C=CC(=O)NC2(c3ccc(OC)cc3)CCCC2)cc1
InChIInChI=1S/C23H25NO4/c1-27-20-12-10-19(11-13-20)23(15-3-4-16-23)24-21(25)14-7-17-5-8-18(9-6-17)22(26)28-2/h5-14H,3-4,15-16H2,1-2H3,(H,24,25)
InChIKeyKSUKCTCHCFJKSQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.08
Rot. Bonds6

About methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate

methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate (PubChem CID 72685520) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate
PubChem CID72685520
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namemethyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(C=CC(=O)NC2(c3ccc(OC)cc3)CCCC2)cc1
InChIInChI=1S/C23H25NO4/c1-27-20-12-10-19(11-13-20)23(15-3-4-16-23)24-21(25)14-7-17-5-8-18(9-6-17)22(26)28-2/h5-14H,3-4,15-16H2,1-2H3,(H,24,25)
InChIKeyKSUKCTCHCFJKSQ-UHFFFAOYSA-N
XLogP4.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate with MolForge

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 25470093
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
CID 118564830
3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
CID 76879485
(E)-N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 115878144
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
CID 60618186
methyl 4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoate
CID 1040452
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate?
The IUPAC name of methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate (CID 72685520) is methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate.
What is the SMILES notation for methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate?
The canonical SMILES for methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate is COC(=O)c1ccc(C=CC(=O)NC2(c3ccc(OC)cc3)CCCC2)cc1.
What is the InChIKey of methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate?
The InChIKey is KSUKCTCHCFJKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-27-20-12-10-19(11-13-20)23(15-3-4-16-23)24-21(25)14-7-17-5-8-18(9-6-17)22(26)28-2/h5-14H,3-4,15-16H2,1-2H3,(H,24,25).
What are the key properties of methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate?
methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate has a molecular weight of 379.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[[1-(4-methoxyphenyl)cyclopentyl]amino]-3-oxoprop-1-enyl]benzoate is sourced from PubChem (CID 72685520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).