N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

C24H29N3O2 — CID 108525389

IUPACN-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-23(2)13-20-14-24(3,15-23)16-26(20)21(28)22(29)27(18-7-5-4-6-8-18)19-11-9-17(25)10-12-19/h4-12,20H,13-16,25H2,1-3H3
InChIKeyUGWQSNSTRZTXNV-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.36
Rot. Bonds2

About N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (PubChem CID 108525389) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
PubChem CID108525389
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-23(2)13-20-14-24(3,15-23)16-26(20)21(28)22(29)27(18-7-5-4-6-8-18)19-11-9-17(25)10-12-19/h4-12,20H,13-16,25H2,1-3H3
InChIKeyUGWQSNSTRZTXNV-UHFFFAOYSA-N
XLogP4.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5130823
N-(4-amino-2-chlorophenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108516140
2-oxo-N-(2-propan-2-ylphenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108500567
2-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 3154303
N-(4-aminophenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 82224567
N-[2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]phenyl]acetamide
CID 796337
N-(2-morpholin-4-ylphenyl)-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108527470
2-chloro-2-phenyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 60949764
(1S,5S)-1,3,3-trimethyl-N-[4-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]amino]phenyl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 98089225
N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide
CID 108517237
(4-chlorophenyl)-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98157724
N-[[3-(aminomethyl)phenyl]methyl]-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108518983

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (CID 108525389) is N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is CC1(C)CC2CC(C)(CN2C(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)C1.
What is the InChIKey of N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The InChIKey is UGWQSNSTRZTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-23(2)13-20-14-24(3,15-23)16-26(20)21(28)22(29)27(18-7-5-4-6-8-18)19-11-9-17(25)10-12-19/h4-12,20H,13-16,25H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is sourced from PubChem (CID 108525389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).