4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide

C22H26N4O4 — CID 24670472

IUPAC4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C22H26N4O4/c1-3-26(22(30)18-6-4-16(5-7-18)14-24-15(2)27)13-12-20(28)25-19-10-8-17(9-11-19)21(23)29/h4-11H,3,12-14H2,1-2H3,(H2,23,29)(H,24,27)(H,25,28)
InChIKeyRRYRFBDGFNTASS-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.91
Rot. Bonds9

About 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide

4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide (PubChem CID 24670472) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide
PubChem CID24670472
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide
SMILESCCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C22H26N4O4/c1-3-26(22(30)18-6-4-16(5-7-18)14-24-15(2)27)13-12-20(28)25-19-10-8-17(9-11-19)21(23)29/h4-11H,3,12-14H2,1-2H3,(H2,23,29)(H,24,27)(H,25,28)
InChIKeyRRYRFBDGFNTASS-UHFFFAOYSA-N
XLogP1.91
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-4-phenylbenzamide
CID 46558447
N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
CID 31412018
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
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24670513
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 24670488
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
methyl 3-[[4-(carbamoylamino)benzoyl]-ethylamino]propanoate
CID 61011169
N-[3-(4-carbamoylanilino)-3-oxopropyl]-1-(2-chlorophenyl)-N-ethyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 24670500
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24661539

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide (CID 24670472) is 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide is CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide?
The InChIKey is RRYRFBDGFNTASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-3-26(22(30)18-6-4-16(5-7-18)14-24-15(2)27)13-12-20(28)25-19-10-8-17(9-11-19)21(23)29/h4-11H,3,12-14H2,1-2H3,(H2,23,29)(H,24,27)(H,25,28).
What are the key properties of 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide?
4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide has a molecular weight of 410.47 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[3-(4-carbamoylanilino)-3-oxopropyl]-N-ethylbenzamide is sourced from PubChem (CID 24670472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).