4-N-(3-aminopropyl)benzene-1,4-dicarboxamide

C11H15N3O2 — CID 11053215

IUPAC4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
SMILESNCCCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c12-6-1-7-14-11(16)9-4-2-8(3-5-9)10(13)15/h2-5H,1,6-7,12H2,(H2,13,15)(H,14,16)
InChIKeyUJJYXRJHJBSKMQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.14
Rot. Bonds5

About 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide

4-N-(3-aminopropyl)benzene-1,4-dicarboxamide (PubChem CID 11053215) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
PubChem CID11053215
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
SMILESNCCCNC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H15N3O2/c12-6-1-7-14-11(16)9-4-2-8(3-5-9)10(13)15/h2-5H,1,6-7,12H2,(H2,13,15)(H,14,16)
InChIKeyUJJYXRJHJBSKMQ-UHFFFAOYSA-N
XLogP-0.14
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.14
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

1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
7-[(4-carbamoylbenzoyl)amino]heptanoic acid
CID 43358997
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide
CID 101205073
4-N-(2-anilinoethyl)benzene-1,4-dicarboxamide
CID 154348827
ethane;N-(3-hydroxypropyl)-4-methylbenzamide;4-methylbenzamide
CID 143035952
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
ethyl 4-[7-[(4-carbamoylbenzoyl)amino]heptylcarbamoyl]benzoate
CID 58936752
4-N-(3-aminopropyl)-2,3-dihydroxybenzene-1,4-dicarboxamide
CID 123259789
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
N-(3-aminopropyl)-4-(2-methoxyethoxy)benzamide;hydrochloride
CID 119406862

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide (CID 11053215) is 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide is NCCCNC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide?
The InChIKey is UJJYXRJHJBSKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-6-1-7-14-11(16)9-4-2-8(3-5-9)10(13)15/h2-5H,1,6-7,12H2,(H2,13,15)(H,14,16).
What are the key properties of 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide?
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 11053215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).