1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C23H30N2O2 — CID 109056611

IUPAC1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-5-14-25(15-6-2)23(27)19-11-9-10-18(16-19)22(26)24-21-13-8-7-12-20(21)17(3)4/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyANAUHMVBAGINEK-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.32
Rot. Bonds8

About 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 109056611) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID109056611
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C23H30N2O2/c1-5-14-25(15-6-2)23(27)19-11-9-10-18(16-19)22(26)24-21-13-8-7-12-20(21)17(3)4/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,24,26)
InChIKeyANAUHMVBAGINEK-UHFFFAOYSA-N
XLogP5.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119422209
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
3-[[2-(2-propan-2-ylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54823564
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119439486
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
4-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832376
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
(2R)-2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119369801
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605
2-[[3-(dipropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119348612

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 109056611) is 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is ANAUHMVBAGINEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-14-25(15-6-2)23(27)19-11-9-10-18(16-19)22(26)24-21-13-8-7-12-20(21)17(3)4/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,24,26).
What are the key properties of 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 366.51 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).