3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide

C30H36N4O3 — CID 54841841

IUPAC3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)c3ccccc3)cc2)c1
InChIInChI=1S/C30H36N4O3/c1-4-18-34(19-5-2)30(37)25-12-9-13-27(20-25)31-21-28(35)33-26-16-14-24(15-17-26)29(36)32-22(3)23-10-7-6-8-11-23/h6-17,20,22,31H,4-5,18-19,21H2,1-3H3,(H,32,36)(H,33,35)
InChIKeySLSJIKYUXZULCG-UHFFFAOYSA-N
MW500.64 g/mol
LogP5.49
Rot. Bonds12

About 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide

3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54841841) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
PubChem CID54841841
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)c3ccccc3)cc2)c1
InChIInChI=1S/C30H36N4O3/c1-4-18-34(19-5-2)30(37)25-12-9-13-27(20-25)31-21-28(35)33-26-16-14-24(15-17-26)29(36)32-22(3)23-10-7-6-8-11-23/h6-17,20,22,31H,4-5,18-19,21H2,1-3H3,(H,32,36)(H,33,35)
InChIKeySLSJIKYUXZULCG-UHFFFAOYSA-N
XLogP5.49
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54842058
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842173
3-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842146
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832656
3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54839041
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide (CID 54841841) is 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)c3ccccc3)cc2)c1.
What is the InChIKey of 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is SLSJIKYUXZULCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-4-18-34(19-5-2)30(37)25-12-9-13-27(20-25)31-21-28(35)33-26-16-14-24(15-17-26)29(36)32-22(3)23-10-7-6-8-11-23/h6-17,20,22,31H,4-5,18-19,21H2,1-3H3,(H,32,36)(H,33,35).
What are the key properties of 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide?
3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide has a molecular weight of 500.64 g/mol, XLogP of 5.49, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54841841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).