3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

C30H36N4O3 — CID 54842058

IUPAC3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C30H36N4O3/c1-4-17-34(18-5-2)30(37)25-14-10-15-26(20-25)31-21-28(35)33-27-16-9-13-24(19-27)29(36)32-22(3)23-11-7-6-8-12-23/h6-16,19-20,22,31H,4-5,17-18,21H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyNTJRRGLLWQKLDI-UHFFFAOYSA-N
MW500.64 g/mol
LogP5.49
Rot. Bonds12

About 3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54842058) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54842058
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c1
InChIInChI=1S/C30H36N4O3/c1-4-17-34(18-5-2)30(37)25-14-10-15-26(20-25)31-21-28(35)33-27-16-9-13-24(19-27)29(36)32-22(3)23-11-7-6-8-12-23/h6-16,19-20,22,31H,4-5,17-18,21H2,1-3H3,(H,32,36)(H,33,35)
InChIKeyNTJRRGLLWQKLDI-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-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54841841
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54834304
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
N-(1-phenylethyl)-3-[[2-[4-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836161
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54811009
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-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832017

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54842058) is 3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is CCCN(CCC)C(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)c1.
What is the InChIKey of 3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is NTJRRGLLWQKLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-4-17-34(18-5-2)30(37)25-14-10-15-26(20-25)31-21-28(35)33-27-16-9-13-24(19-27)29(36)32-22(3)23-11-7-6-8-12-23/h6-16,19-20,22,31H,4-5,17-18,21H2,1-3H3,(H,32,36)(H,33,35).
What are the key properties of 3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide 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-[3-(dipropylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54842058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).