N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide

C23H33N3O2 — CID 110140551

IUPACN-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1[C@H]2CCCC[C@H]3N(C)[C@@H](Cc4ccccc4)[C@@H]1C[C@@]23C
InChIInChI=1S/C23H33N3O2/c1-16(27)24-15-22(28)26-19-14-23(2)20(11-7-8-12-21(23)26)25(3)18(19)13-17-9-5-4-6-10-17/h4-6,9-10,18-21H,7-8,11-15H2,1-3H3,(H,24,27)/t18-,19-,20+,21-,23+/m0/s1
InChIKeyBLDQNEHAYRORIH-KHYDEXNFSA-N
MW383.54 g/mol
LogP2.60
Rot. Bonds4

About N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide

N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide (PubChem CID 110140551) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide
PubChem CID110140551
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1[C@H]2CCCC[C@H]3N(C)[C@@H](Cc4ccccc4)[C@@H]1C[C@@]23C
InChIInChI=1S/C23H33N3O2/c1-16(27)24-15-22(28)26-19-14-23(2)20(11-7-8-12-21(23)26)25(3)18(19)13-17-9-5-4-6-10-17/h4-6,9-10,18-21H,7-8,11-15H2,1-3H3,(H,24,27)/t18-,19-,20+,21-,23+/m0/s1
InChIKeyBLDQNEHAYRORIH-KHYDEXNFSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide 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-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide (CID 110140551) is N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1[C@H]2CCCC[C@H]3N(C)[C@@H](Cc4ccccc4)[C@@H]1C[C@@]23C.
What is the InChIKey of N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide?
The InChIKey is BLDQNEHAYRORIH-KHYDEXNFSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16(27)24-15-22(28)26-19-14-23(2)20(11-7-8-12-21(23)26)25(3)18(19)13-17-9-5-4-6-10-17/h4-6,9-10,18-21H,7-8,11-15H2,1-3H3,(H,24,27)/t18-,19-,20+,21-,23+/m0/s1.
What are the key properties of N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide?
N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110140551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).