N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide

C28H32N4O — CID 25218554

IUPACN-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2CCC3(CCNC3)CC2)cc1
InChIInChI=1S/C28H32N4O/c29-25-11-10-24(22-4-2-1-3-5-22)18-26(25)31-27(33)23-8-6-21(7-9-23)19-32-16-13-28(14-17-32)12-15-30-20-28/h1-11,18,30H,12-17,19-20,29H2,(H,31,33)
InChIKeyCFNXHQHHZZDTSQ-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.76
Rot. Bonds5

About N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide

N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide (PubChem CID 25218554) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide
PubChem CID25218554
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC NameN-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2CCC3(CCNC3)CC2)cc1
InChIInChI=1S/C28H32N4O/c29-25-11-10-24(22-4-2-1-3-5-22)18-26(25)31-27(33)23-8-6-21(7-9-23)19-32-16-13-28(14-17-32)12-15-30-20-28/h1-11,18,30H,12-17,19-20,29H2,(H,31,33)
InChIKeyCFNXHQHHZZDTSQ-UHFFFAOYSA-N
XLogP4.76
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide (CID 25218554) is N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2CCC3(CCNC3)CC2)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide?
The InChIKey is CFNXHQHHZZDTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c29-25-11-10-24(22-4-2-1-3-5-22)18-26(25)31-27(33)23-8-6-21(7-9-23)19-32-16-13-28(14-17-32)12-15-30-20-28/h1-11,18,30H,12-17,19-20,29H2,(H,31,33).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide?
N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide has a molecular weight of 440.59 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-(2,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide is sourced from PubChem (CID 25218554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).