4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide

C19H33N3O2 — CID 110195794

IUPAC4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide
SMILESCCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(C)=O)[C@@H]23
InChIInChI=1S/C19H33N3O2/c1-3-20-18(24)10-4-9-17-16-8-6-12-21-11-5-7-15(19(16)21)13-22(17)14(2)23/h15-17,19H,3-13H2,1-2H3,(H,20,24)/t15-,16+,17+,19-/m0/s1
InChIKeyOALDTELBRTVLMP-FAJBIJEISA-N
MW335.49 g/mol
LogP2.01
Rot. Bonds5

About 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide

4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide (PubChem CID 110195794) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide.

Molecular Properties

Compound Name4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide
PubChem CID110195794
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide
SMILESCCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(C)=O)[C@@H]23
InChIInChI=1S/C19H33N3O2/c1-3-20-18(24)10-4-9-17-16-8-6-12-21-11-5-7-15(19(16)21)13-22(17)14(2)23/h15-17,19H,3-13H2,1-2H3,(H,20,24)/t15-,16+,17+,19-/m0/s1
InChIKeyOALDTELBRTVLMP-FAJBIJEISA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide 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 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide?
The IUPAC name of 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide (CID 110195794) is 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide.
What is the SMILES notation for 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide?
The canonical SMILES for 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide is CCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(C)=O)[C@@H]23.
What is the InChIKey of 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide?
The InChIKey is OALDTELBRTVLMP-FAJBIJEISA-N. The full InChI is InChI=1S/C19H33N3O2/c1-3-20-18(24)10-4-9-17-16-8-6-12-21-11-5-7-15(19(16)21)13-22(17)14(2)23/h15-17,19H,3-13H2,1-2H3,(H,20,24)/t15-,16+,17+,19-/m0/s1.
What are the key properties of 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide?
4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide has a molecular weight of 335.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R,6R,9S,13S)-7-acetyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-ethylbutanamide is sourced from PubChem (CID 110195794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).