1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide

C22H28N2O2 — CID 109056283

IUPAC1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-4-5-8-14-23-21(25)17-10-9-11-18(15-17)22(26)24-20-13-7-6-12-19(20)16(2)3/h6-7,9-13,15-16H,4-5,8,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGMMNAPPUIZVOBV-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.98
Rot. Bonds8

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

1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056283) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID109056283
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C22H28N2O2/c1-4-5-8-14-23-21(25)17-10-9-11-18(15-17)22(26)24-20-13-7-6-12-19(20)16(2)3/h6-7,9-13,15-16H,4-5,8,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGMMNAPPUIZVOBV-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043746
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109045330
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054696
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138

Frequently Asked Questions

What is the IUPAC name of 1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide (CID 109056283) is 1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide is CCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is GMMNAPPUIZVOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-5-8-14-23-21(25)17-10-9-11-18(15-17)22(26)24-20-13-7-6-12-19(20)16(2)3/h6-7,9-13,15-16H,4-5,8,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).