N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide

C29H36N4O4 — CID 91392270

IUPACN-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide
SMILESCCNC(=O)c1cc2c(cc1OC)C1=C(CO2)C(CN2CCN(CC(C)=Cc3ccccc3)CC2)ON1
InChIInChI=1S/C29H36N4O4/c1-4-30-29(34)23-16-26-22(15-25(23)35-3)28-24(19-36-26)27(37-31-28)18-33-12-10-32(11-13-33)17-20(2)14-21-8-6-5-7-9-21/h5-9,14-16,27,31H,4,10-13,17-19H2,1-3H3,(H,30,34)
InChIKeyRXZIWZAFSPRDKX-UHFFFAOYSA-N
MW504.63 g/mol
LogP3.17
Rot. Bonds8

About N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide

N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide (PubChem CID 91392270) has the molecular formula C29H36N4O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide
PubChem CID91392270
Molecular FormulaC29H36N4O4
Molecular Weight504.63 g/mol
Exact Mass504.27
IUPAC NameN-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide
SMILESCCNC(=O)c1cc2c(cc1OC)C1=C(CO2)C(CN2CCN(CC(C)=Cc3ccccc3)CC2)ON1
InChIInChI=1S/C29H36N4O4/c1-4-30-29(34)23-16-26-22(15-25(23)35-3)28-24(19-36-26)27(37-31-28)18-33-12-10-32(11-13-33)17-20(2)14-21-8-6-5-7-9-21/h5-9,14-16,27,31H,4,10-13,17-19H2,1-3H3,(H,30,34)
InChIKeyRXZIWZAFSPRDKX-UHFFFAOYSA-N
XLogP3.17
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide with MolForge

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Related Compounds

2-[methyl-[[3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazol-7-yl]methyl]amino]ethanol
CID 91559553
[(3aR)-8-methoxy-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl]methanol
CID 89340569
ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
CID 757381
[(3R,3aS)-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl] 2-methoxyacetate
CID 11214030
methyl (2S,4R)-4-[(2,4-dimethoxybenzoyl)amino]-1-[(E)-2-methyl-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate
CID 45488713
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methyl-3-phenylprop-2-enyl)benzamide
CID 68682538
1-(4-fluorophenyl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 5333510
N-[8-ethyl-3-[[4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazol-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 89334455
3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-7-(nitrosomethyl)-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
CID 91396035
2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 126463646
2-[4,7-bis(carboxymethyl)-10-[2-[[2-[2-(3-methoxynaphthalene-2-carbonyl)hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 10212838
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-oxo-1-phenylpyridine-3-carboxamide
CID 119099694

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide?
The IUPAC name of N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide (CID 91392270) is N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide.
What is the SMILES notation for N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide?
The canonical SMILES for N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide is CCNC(=O)c1cc2c(cc1OC)C1=C(CO2)C(CN2CCN(CC(C)=Cc3ccccc3)CC2)ON1.
What is the InChIKey of N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide?
The InChIKey is RXZIWZAFSPRDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4/c1-4-30-29(34)23-16-26-22(15-25(23)35-3)28-24(19-36-26)27(37-31-28)18-33-12-10-32(11-13-33)17-20(2)14-21-8-6-5-7-9-21/h5-9,14-16,27,31H,4,10-13,17-19H2,1-3H3,(H,30,34).
What are the key properties of N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide?
N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide has a molecular weight of 504.63 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methoxy-3-[[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-chromeno[4,3-c][1,2]oxazole-7-carboxamide is sourced from PubChem (CID 91392270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).