4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide

C16H17N3O2 — CID 154348827

IUPAC4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCNc2ccccc2)cc1
InChIInChI=1S/C16H17N3O2/c17-15(20)12-6-8-13(9-7-12)16(21)19-11-10-18-14-4-2-1-3-5-14/h1-9,18H,10-11H2,(H2,17,20)(H,19,21)
InChIKeyPKSHKKGBKYLEFG-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.63
Rot. Bonds6

About 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide

4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide (PubChem CID 154348827) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
PubChem CID154348827
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCNc2ccccc2)cc1
InChIInChI=1S/C16H17N3O2/c17-15(20)12-6-8-13(9-7-12)16(21)19-11-10-18-14-4-2-1-3-5-14/h1-9,18H,10-11H2,(H2,17,20)(H,19,21)
InChIKeyPKSHKKGBKYLEFG-UHFFFAOYSA-N
XLogP1.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
4-N-[2-(ethylamino)ethyl]benzene-1,4-dicarboxamide;hydrochloride
CID 119508553
4-N-(2,2-diphenylethyl)benzene-1,4-dicarboxamide
CID 30870123
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
N-(2-anilinoethyl)carbamoyl chloride
CID 89292343
4-(4-aminobutylamino)benzamide
CID 117097342
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832721
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
4-(3-phenoxypropylamino)benzamide
CID 60678988

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide (CID 154348827) is 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NCCNc2ccccc2)cc1.
What is the InChIKey of 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide?
The InChIKey is PKSHKKGBKYLEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-15(20)12-6-8-13(9-7-12)16(21)19-11-10-18-14-4-2-1-3-5-14/h1-9,18H,10-11H2,(H2,17,20)(H,19,21).
What are the key properties of 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide?
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 154348827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).