3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide

C25H34N4O3 — CID 54839041

IUPAC3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)c1
InChIInChI=1S/C25H34N4O3/c1-4-14-26-24(31)20-8-7-9-22(17-20)27-18-23(30)28-21-12-10-19(11-13-21)25(32)29(15-5-2)16-6-3/h7-13,17,27H,4-6,14-16,18H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyCWDALCGTOXHTAU-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.14
Rot. Bonds12

About 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide

3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 54839041) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID54839041
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)c1
InChIInChI=1S/C25H34N4O3/c1-4-14-26-24(31)20-8-7-9-22(17-20)27-18-23(30)28-21-12-10-19(11-13-21)25(32)29(15-5-2)16-6-3/h7-13,17,27H,4-6,14-16,18H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyCWDALCGTOXHTAU-UHFFFAOYSA-N
XLogP4.14
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841044
3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54835986
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
propyl 4-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54838891
N-[4-[[2-[3-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54842373
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55898611
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811111
4-[[2-(3-chloroanilino)acetyl]amino]-N-propylbenzamide
CID 54809400
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide (CID 54839041) is 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)c1.
What is the InChIKey of 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is CWDALCGTOXHTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-4-14-26-24(31)20-8-7-9-22(17-20)27-18-23(30)28-21-12-10-19(11-13-21)25(32)29(15-5-2)16-6-3/h7-13,17,27H,4-6,14-16,18H2,1-3H3,(H,26,31)(H,28,30).
What are the key properties of 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 438.57 g/mol, XLogP of 4.14, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54839041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).