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

C18H33N3O — CID 110195693

IUPACN-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
SMILESCCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C)[C@@H]23
InChIInChI=1S/C18H33N3O/c1-3-19-17(22)10-4-9-16-15-8-6-12-21-11-5-7-14(18(15)21)13-20(16)2/h14-16,18H,3-13H2,1-2H3,(H,19,22)/t14-,15+,16+,18-/m0/s1
InChIKeyQRKCJMVUEYRKAM-LHHMISFZSA-N
MW307.48 g/mol
LogP2.10
Rot. Bonds5

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

N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide (PubChem CID 110195693) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide.

Molecular Properties

Compound NameN-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
PubChem CID110195693
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC NameN-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
SMILESCCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C)[C@@H]23
InChIInChI=1S/C18H33N3O/c1-3-19-17(22)10-4-9-16-15-8-6-12-21-11-5-7-14(18(15)21)13-20(16)2/h14-16,18H,3-13H2,1-2H3,(H,19,22)/t14-,15+,16+,18-/m0/s1
InChIKeyQRKCJMVUEYRKAM-LHHMISFZSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide 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-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
The IUPAC name of N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide (CID 110195693) is N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide.
What is the SMILES notation for N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
The canonical SMILES for N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide is CCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C)[C@@H]23.
What is the InChIKey of N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
The InChIKey is QRKCJMVUEYRKAM-LHHMISFZSA-N. The full InChI is InChI=1S/C18H33N3O/c1-3-19-17(22)10-4-9-16-15-8-6-12-21-11-5-7-14(18(15)21)13-20(16)2/h14-16,18H,3-13H2,1-2H3,(H,19,22)/t14-,15+,16+,18-/m0/s1.
What are the key properties of N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide has a molecular weight of 307.48 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide is sourced from PubChem (CID 110195693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).