1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide

C16H26N4O2 — CID 171064318

IUPAC1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
SMILESNCCCCNC(=O)c1ccccc1C(=O)NCCCCN
InChIInChI=1S/C16H26N4O2/c17-9-3-5-11-19-15(21)13-7-1-2-8-14(13)16(22)20-12-6-4-10-18/h1-2,7-8H,3-6,9-12,17-18H2,(H,19,21)(H,20,22)
InChIKeyJADSSZJNEIQBMX-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.62
Rot. Bonds10

About 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide

1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide (PubChem CID 171064318) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
PubChem CID171064318
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
SMILESNCCCCNC(=O)c1ccccc1C(=O)NCCCCN
InChIInChI=1S/C16H26N4O2/c17-9-3-5-11-19-15(21)13-7-1-2-8-14(13)16(22)20-12-6-4-10-18/h1-2,7-8H,3-6,9-12,17-18H2,(H,19,21)(H,20,22)
InChIKeyJADSSZJNEIQBMX-UHFFFAOYSA-N
XLogP0.62
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(6-aminohexyl)-2-tert-butylbenzamide
CID 107843835
N-(4-aminobutyl)-2-(ethylamino)benzamide
CID 55178434
2-[6-[(2-carboxybenzoyl)amino]hexylcarbamoyl]benzoic acid
CID 3829688
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
2-[2-(4-aminobutylamino)-2-oxoethyl]benzoic acid
CID 113431497
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
N-(4-aminobutyl)-2-methyl-3-nitrobenzamide
CID 60895227
N-[3-(3-aminopropylamino)propyl]-2,3-dihydroxybenzamide
CID 45479385

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide (CID 171064318) is 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide is NCCCCNC(=O)c1ccccc1C(=O)NCCCCN.
What is the InChIKey of 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide?
The InChIKey is JADSSZJNEIQBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c17-9-3-5-11-19-15(21)13-7-1-2-8-14(13)16(22)20-12-6-4-10-18/h1-2,7-8H,3-6,9-12,17-18H2,(H,19,21)(H,20,22).
What are the key properties of 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide?
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.62, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 171064318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).