(2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone

C25H36N2O — CID 141334597

IUPAC(2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone
SMILESCCCc1cc(CCC)cc(C(=O)c2c(N)c(CCC)cc(CCC)c2N)c1
InChIInChI=1S/C25H36N2O/c1-5-9-17-13-18(10-6-2)15-21(14-17)25(28)22-23(26)19(11-7-3)16-20(12-8-4)24(22)27/h13-16H,5-12,26-27H2,1-4H3
InChIKeyPLFZLWQRSRJXAY-UHFFFAOYSA-N
MW380.58 g/mol
LogP5.89
Rot. Bonds10

About (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone

(2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone (PubChem CID 141334597) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone.

Molecular Properties

Compound Name(2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone
PubChem CID141334597
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name(2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone
SMILESCCCc1cc(CCC)cc(C(=O)c2c(N)c(CCC)cc(CCC)c2N)c1
InChIInChI=1S/C25H36N2O/c1-5-9-17-13-18(10-6-2)15-21(14-17)25(28)22-23(26)19(11-7-3)16-20(12-8-4)24(22)27/h13-16H,5-12,26-27H2,1-4H3
InChIKeyPLFZLWQRSRJXAY-UHFFFAOYSA-N
XLogP5.89
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone?
The IUPAC name of (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone (CID 141334597) is (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone.
What is the SMILES notation for (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone?
The canonical SMILES for (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone is CCCc1cc(CCC)cc(C(=O)c2c(N)c(CCC)cc(CCC)c2N)c1.
What is the InChIKey of (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone?
The InChIKey is PLFZLWQRSRJXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-5-9-17-13-18(10-6-2)15-21(14-17)25(28)22-23(26)19(11-7-3)16-20(12-8-4)24(22)27/h13-16H,5-12,26-27H2,1-4H3.
What are the key properties of (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone?
(2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone has a molecular weight of 380.58 g/mol, XLogP of 5.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diamino-3,5-dipropylphenyl)-(3,5-dipropylphenyl)methanone is sourced from PubChem (CID 141334597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).