N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide

C28H32N4O — CID 24746277

IUPACN-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1
InChIInChI=1S/C28H32N4O/c29-25-12-11-24(22-5-2-1-3-6-22)19-26(25)31-27(33)23-9-7-21(8-10-23)20-32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,20,29H2,(H,31,33)
InChIKeyLZBKXQAVFZXXKI-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.91
Rot. Bonds5

About N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide

N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide (PubChem CID 24746277) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide
PubChem CID24746277
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC NameN-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1
InChIInChI=1S/C28H32N4O/c29-25-12-11-24(22-5-2-1-3-6-22)19-26(25)31-27(33)23-9-7-21(8-10-23)20-32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,20,29H2,(H,31,33)
InChIKeyLZBKXQAVFZXXKI-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide
CID 25023852
N-(2-aminophenyl)-4-(1-{2-[(2-fluorophenyl)carbamoyl]ethyl}piperidin-4-yl)benzamide
CID 25023856
N-(2-amino-5-phenylphenyl)-4-{2,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 25218554
N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 25218556
N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218563
N-(4-aminobiphenyl-3-yl)benzamide
CID 44454143
N-(4-amino-4''-fluorobiphenyl-3-yl)benzamide
CID 46830345
N-(2-aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]-benzamide
CID 56965342
4-(4-fluorophenyl)-N-[6-(pyrrolidin-1-ylmethyl)-7,8-dihydronaphthalen-2-yl]benzamide
CID 9910346
3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9819770
(R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9928335

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide (CID 24746277) is N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide?
The InChIKey is LZBKXQAVFZXXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c29-25-12-11-24(22-5-2-1-3-6-22)19-26(25)31-27(33)23-9-7-21(8-10-23)20-32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,20,29H2,(H,31,33).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide?
N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide has a molecular weight of 440.59 g/mol, XLogP of 4.91, 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-(1,8-diazaspiro[4.5]decan-8-ylmethyl)benzamide is sourced from PubChem (CID 24746277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).