3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide

C30H36N4O3 — CID 54834886

IUPAC3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)cc1
InChIInChI=1S/C30H36N4O3/c1-4-19-33(20-5-2)29(36)23-15-17-25(18-16-23)31-22-28(35)32-26-12-10-11-24(21-26)30(37)34(6-3)27-13-8-7-9-14-27/h7-18,21,31H,4-6,19-20,22H2,1-3H3,(H,32,35)
InChIKeyAERUYFHJYXEYSM-UHFFFAOYSA-N
MW500.64 g/mol
LogP5.67
Rot. Bonds12

About 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide

3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 54834886) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID54834886
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)cc1
InChIInChI=1S/C30H36N4O3/c1-4-19-33(20-5-2)29(36)23-15-17-25(18-16-23)31-22-28(35)32-26-12-10-11-24(21-26)30(37)34(6-3)27-13-8-7-9-14-27/h7-18,21,31H,4-6,19-20,22H2,1-3H3,(H,32,35)
InChIKeyAERUYFHJYXEYSM-UHFFFAOYSA-N
XLogP5.67
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[2-(4-methylanilino)acetyl]amino]-N-phenylbenzamide
CID 54814231
N-ethyl-N-phenyl-3-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833237
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
N-ethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838383
N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54820208
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-ethyl-N-phenylbenzamide
CID 54838274
3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54839041

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 54834886) is 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide is CCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N(CC)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is AERUYFHJYXEYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-4-19-33(20-5-2)29(36)23-15-17-25(18-16-23)31-22-28(35)32-26-12-10-11-24(21-26)30(37)34(6-3)27-13-8-7-9-14-27/h7-18,21,31H,4-6,19-20,22H2,1-3H3,(H,32,35).
What are the key properties of 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide?
3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 500.64 g/mol, XLogP of 5.67, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(dipropylcarbamoyl)anilino]acetyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 54834886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).