N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide

C30H45N3O3 — CID 143623404

IUPACN-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CC3CCC(C2)N3C(C)c2ccc(OCCCCN(C)C)c(C)c2C)c(C)o1
InChIInChI=1S/C30H45N3O3/c1-19-16-28(23(5)36-19)30(34)31-24-17-25-10-11-26(18-24)33(25)22(4)27-12-13-29(21(3)20(27)2)35-15-9-8-14-32(6)7/h12-13,16,22,24-26H,8-11,14-15,17-18H2,1-7H3,(H,31,34)
InChIKeyNFSYJOOTYPUYRX-UHFFFAOYSA-N
MW495.71 g/mol
LogP5.72
Rot. Bonds10

About N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide

N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 143623404) has the molecular formula C30H45N3O3 and a molecular weight of 495.71 g/mol. Its IUPAC name is N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID143623404
Molecular FormulaC30H45N3O3
Molecular Weight495.71 g/mol
Exact Mass495.35
IUPAC NameN-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CC3CCC(C2)N3C(C)c2ccc(OCCCCN(C)C)c(C)c2C)c(C)o1
InChIInChI=1S/C30H45N3O3/c1-19-16-28(23(5)36-19)30(34)31-24-17-25-10-11-26(18-24)33(25)22(4)27-12-13-29(21(3)20(27)2)35-15-9-8-14-32(6)7/h12-13,16,22,24-26H,8-11,14-15,17-18H2,1-7H3,(H,31,34)
InChIKeyNFSYJOOTYPUYRX-UHFFFAOYSA-N
XLogP5.72
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide (CID 143623404) is N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CC3CCC(C2)N3C(C)c2ccc(OCCCCN(C)C)c(C)c2C)c(C)o1.
What is the InChIKey of N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NFSYJOOTYPUYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O3/c1-19-16-28(23(5)36-19)30(34)31-24-17-25-10-11-26(18-24)33(25)22(4)27-12-13-29(21(3)20(27)2)35-15-9-8-14-32(6)7/h12-13,16,22,24-26H,8-11,14-15,17-18H2,1-7H3,(H,31,34).
What are the key properties of N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide?
N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 495.71 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 143623404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).