5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide

C11H16N4O2 — CID 103387595

IUPAC5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide
SMILESCC(CN)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C11H16N4O2/c1-6(5-12)15-9-3-7(10(13)16)2-8(4-9)11(14)17/h2-4,6,15H,5,12H2,1H3,(H2,13,16)(H2,14,17)
InChIKeyFHMQRCLDSGQFOQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.36
Rot. Bonds5

About 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide

5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide (PubChem CID 103387595) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide
PubChem CID103387595
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide
SMILESCC(CN)Nc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C11H16N4O2/c1-6(5-12)15-9-3-7(10(13)16)2-8(4-9)11(14)17/h2-4,6,15H,5,12H2,1H3,(H2,13,16)(H2,14,17)
InChIKeyFHMQRCLDSGQFOQ-UHFFFAOYSA-N
XLogP-0.36
TPSA124.23 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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3-N-[(1R,3S,4S)-3-amino-1-[(4-fluorophenyl)carbamoyl]-1,6-dimethylheptan-4-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide
CID 11512035
3-benzamido-N-cyclopentylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide (CID 103387595) is 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide is CC(CN)Nc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide?
The InChIKey is FHMQRCLDSGQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-6(5-12)15-9-3-7(10(13)16)2-8(4-9)11(14)17/h2-4,6,15H,5,12H2,1H3,(H2,13,16)(H2,14,17).
What are the key properties of 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide?
5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide has a molecular weight of 236.28 g/mol, XLogP of -0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-ylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 103387595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).