N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide

C25H25N3O3 — CID 46558447

IUPACN-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-28(17-16-23(29)27-22-14-12-20(13-15-22)24(26)30)25(31)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H2,26,30)(H,27,29)
InChIKeyCSRFTFPTYPCHOL-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.94
Rot. Bonds8

About N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide

N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide (PubChem CID 46558447) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
PubChem CID46558447
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-28(17-16-23(29)27-22-14-12-20(13-15-22)24(26)30)25(31)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H2,26,30)(H,27,29)
InChIKeyCSRFTFPTYPCHOL-UHFFFAOYSA-N
XLogP3.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide
CID 24670472
N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
CID 31412018
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24670513
4-amino-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-3-nitrobenzamide
CID 46558439
N-[3-(4-carbamoylanilino)-3-oxopropyl]-5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 24670493
N-ethyl-N-(2-hydroxyethyl)-4-(phenylcarbamoylamino)benzamide
CID 78821680
N-[2-[(2-anilino-2-oxoethyl)amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide
CID 3927275
N-[3-(4-carbamoylanilino)-3-oxopropyl]-1-(2-chlorophenyl)-N-ethyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 24670500
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate
CID 61011169
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24670488
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide?
The IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide (CID 46558447) is N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide.
What is the SMILES notation for N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide?
The canonical SMILES for N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide?
The InChIKey is CSRFTFPTYPCHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-28(17-16-23(29)27-22-14-12-20(13-15-22)24(26)30)25(31)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H2,26,30)(H,27,29).
What are the key properties of N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide?
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide has a molecular weight of 415.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide is sourced from PubChem (CID 46558447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).