5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide

C18H28N4O3 — CID 150645845

IUPAC5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide
SMILESCCCc1c(C(=O)NN)cc(C(N)=O)cc1C(=O)N(CCC)CCC
InChIInChI=1S/C18H28N4O3/c1-4-7-13-14(17(24)21-20)10-12(16(19)23)11-15(13)18(25)22(8-5-2)9-6-3/h10-11H,4-9,20H2,1-3H3,(H2,19,23)(H,21,24)
InChIKeyJAWBCPUBHXDTEQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.60
Rot. Bonds9

About 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide

5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide (PubChem CID 150645845) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide
PubChem CID150645845
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide
SMILESCCCc1c(C(=O)NN)cc(C(N)=O)cc1C(=O)N(CCC)CCC
InChIInChI=1S/C18H28N4O3/c1-4-7-13-14(17(24)21-20)10-12(16(19)23)11-15(13)18(25)22(8-5-2)9-6-3/h10-11H,4-9,20H2,1-3H3,(H2,19,23)(H,21,24)
InChIKeyJAWBCPUBHXDTEQ-UHFFFAOYSA-N
XLogP1.60
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142195355
2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 141091433
1-N,3-N,3-N-tris-decylbenzene-1,3,5-tricarboxamide
CID 121284589
3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
CID 91500084
5-amino-2-chloro-N,N-dipropylbenzamide
CID 16777206
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 21086057
2-amino-N,N-dipropylbenzamide
CID 16769117
3-(dipropylcarbamoyl)-4-methoxybenzoic acid
CID 129054402
1-N-[(2S,3R,4R,5R)-5-benzamido-3,4-dihydroxy-1-phenylhexan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
CID 10188968
7-methyl-N,N-dipropyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763715
N-ethyl-2-hydrazinyl-N-propylbenzamide
CID 62243548

Frequently Asked Questions

What is the IUPAC name of 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide (CID 150645845) is 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide is CCCc1c(C(=O)NN)cc(C(N)=O)cc1C(=O)N(CCC)CCC.
What is the InChIKey of 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide?
The InChIKey is JAWBCPUBHXDTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-7-13-14(17(24)21-20)10-12(16(19)23)11-15(13)18(25)22(8-5-2)9-6-3/h10-11H,4-9,20H2,1-3H3,(H2,19,23)(H,21,24).
What are the key properties of 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide?
5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 150645845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).