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

C28H30N4O2 — CID 25218563

IUPACN-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1
InChIInChI=1S/C28H30N4O2/c29-24-12-11-23(20-5-2-1-3-6-20)19-25(24)31-26(33)21-7-9-22(10-8-21)27(34)32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,29H2,(H,31,33)
InChIKeyPWRHENYVJGZKCT-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.55
Rot. Bonds4

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

N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide (PubChem CID 25218563) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide
PubChem CID25218563
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1
InChIInChI=1S/C28H30N4O2/c29-24-12-11-23(20-5-2-1-3-6-20)19-25(24)31-26(33)21-7-9-22(10-8-21)27(34)32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,29H2,(H,31,33)
InChIKeyPWRHENYVJGZKCT-UHFFFAOYSA-N
XLogP4.55
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.55
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

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(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
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N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
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CID 25023856
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N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide
CID 25105704
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-(4-aminobiphenyl-3-yl)benzamide
CID 44454143
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide (CID 25218563) is N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(C(=O)N2CCC3(CCCN3)CC2)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide?
The InChIKey is PWRHENYVJGZKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c29-24-12-11-23(20-5-2-1-3-6-20)19-25(24)31-26(33)21-7-9-22(10-8-21)27(34)32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,29H2,(H,31,33).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide?
N-(2-amino-5-phenylphenyl)-4-(1,8-diazaspiro[4.5]decane-8-carbonyl)benzamide has a molecular weight of 454.57 g/mol, XLogP of 4.55, 4 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]decane-8-carbonyl)benzamide is sourced from PubChem (CID 25218563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).