N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide

C20H23N7O2 — CID 45137735

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C20H23N7O2/c21-16-6-3-4-7-17(16)23-18(28)8-2-1-5-13-22-20(29)15-11-9-14(10-12-15)19-24-26-27-25-19/h3-4,6-7,9-12H,1-2,5,8,13,21H2,(H,22,29)(H,23,28)(H,24,25,26,27)
InChIKeyFPZGKCVDPXMAHL-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.38
Rot. Bonds9

About N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide

N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 45137735) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide
PubChem CID45137735
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C20H23N7O2/c21-16-6-3-4-7-17(16)23-18(28)8-2-1-5-13-22-20(29)15-11-9-14(10-12-15)19-24-26-27-25-19/h3-4,6-7,9-12H,1-2,5,8,13,21H2,(H,22,29)(H,23,28)(H,24,25,26,27)
InChIKeyFPZGKCVDPXMAHL-UHFFFAOYSA-N
XLogP2.38
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide (CID 45137735) is N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide is Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is FPZGKCVDPXMAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c21-16-6-3-4-7-17(16)23-18(28)8-2-1-5-13-22-20(29)15-11-9-14(10-12-15)19-24-26-27-25-19/h3-4,6-7,9-12H,1-2,5,8,13,21H2,(H,22,29)(H,23,28)(H,24,25,26,27).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide?
N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 393.45 g/mol, XLogP of 2.38, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 45137735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).