ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate

C31H34N4O5 — CID 42661444

IUPACethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(=O)NC(c2ccc(NC(=O)Nc3ccccc3OCC)cc2)C(C(=O)OCC)=C1c1ccccc1
InChIInChI=1S/C31H34N4O5/c1-4-20-35-28(22-12-8-7-9-13-22)26(29(36)40-6-3)27(34-31(35)38)21-16-18-23(19-17-21)32-30(37)33-24-14-10-11-15-25(24)39-5-2/h7-19,27H,4-6,20H2,1-3H3,(H,34,38)(H2,32,33,37)
InChIKeyODIUWUWVUBFYMI-UHFFFAOYSA-N
MW542.64 g/mol
LogP6.18
Rot. Bonds10

About ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate

ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 42661444) has the molecular formula C31H34N4O5 and a molecular weight of 542.64 g/mol. Its IUPAC name is ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
PubChem CID42661444
Molecular FormulaC31H34N4O5
Molecular Weight542.64 g/mol
Exact Mass542.25
IUPAC Nameethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCN1C(=O)NC(c2ccc(NC(=O)Nc3ccccc3OCC)cc2)C(C(=O)OCC)=C1c1ccccc1
InChIInChI=1S/C31H34N4O5/c1-4-20-35-28(22-12-8-7-9-13-22)26(29(36)40-6-3)27(34-31(35)38)21-16-18-23(19-17-21)32-30(37)33-24-14-10-11-15-25(24)39-5-2/h7-19,27H,4-6,20H2,1-3H3,(H,34,38)(H2,32,33,37)
InChIKeyODIUWUWVUBFYMI-UHFFFAOYSA-N
XLogP6.18
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate 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

ethyl (6S)-6-[4-(ethylcarbamoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 93098729
ethyl 2-oxo-4-phenyl-3-propyl-6-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 42661436
ethyl 6-[4-(cyclohexylcarbamoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661413
ethyl 6-[4-(dimethylcarbamoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 3991788
ethyl 6-[4-(3,3-dimethylbutanoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42756516
ethyl 6-[4-(nonanoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661004
ethyl 6-[3-(naphthalen-1-ylcarbamoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661608
ethyl 6-[3-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 3975421
ethyl (6S)-6-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 98426511
ethyl 6-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661614
ethyl 6-[4-[(3,5-dimethoxybenzoyl)amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661000
ethyl 6-[3-[(3-fluorophenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42661606

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate (CID 42661444) is ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate is CCCN1C(=O)NC(c2ccc(NC(=O)Nc3ccccc3OCC)cc2)C(C(=O)OCC)=C1c1ccccc1.
What is the InChIKey of ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is ODIUWUWVUBFYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O5/c1-4-20-35-28(22-12-8-7-9-13-22)26(29(36)40-6-3)27(34-31(35)38)21-16-18-23(19-17-21)32-30(37)33-24-14-10-11-15-25(24)39-5-2/h7-19,27H,4-6,20H2,1-3H3,(H,34,38)(H2,32,33,37).
What are the key properties of ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate?
ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 542.64 g/mol, XLogP of 6.18, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 42661444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).