1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C20H25N3O2 — CID 119422209

IUPAC1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C20H25N3O2/c1-3-12-23(13-4-2)20(25)16-9-7-8-15(14-16)19(24)22-18-11-6-5-10-17(18)21/h5-11,14H,3-4,12-13,21H2,1-2H3,(H,22,24)
InChIKeyQSXNFRRVDQXFBN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.78
Rot. Bonds7

About 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 119422209) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID119422209
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C20H25N3O2/c1-3-12-23(13-4-2)20(25)16-9-7-8-15(14-16)19(24)22-18-11-6-5-10-17(18)21/h5-11,14H,3-4,12-13,21H2,1-2H3,(H,22,24)
InChIKeyQSXNFRRVDQXFBN-UHFFFAOYSA-N
XLogP3.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119439486
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617
1-N-(3,5-dimethylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056605
1-N-(3-amino-4-methoxyphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119419491
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
N-(2-aminophenyl)-N',N'-dipropylbutanediamide
CID 119421937
N-(2-aminophenyl)-3-tert-butylbenzamide
CID 156733569
N-(2-aminophenyl)-N',N'-dipropylbutanediamide;hydrochloride
CID 119421936
1-N-(1-amino-2-methylpropan-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119522644

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 119422209) is 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2N)c1.
What is the InChIKey of 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is QSXNFRRVDQXFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-12-23(13-4-2)20(25)16-9-7-8-15(14-16)19(24)22-18-11-6-5-10-17(18)21/h5-11,14H,3-4,12-13,21H2,1-2H3,(H,22,24).
What are the key properties of 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119422209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).