N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide

C19H35N3O2 — CID 110194890

IUPACN-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
SMILESCOCCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C)[C@@H]23
InChIInChI=1S/C19H35N3O2/c1-21-14-15-6-4-11-22-12-5-7-16(19(15)22)17(21)8-3-9-18(23)20-10-13-24-2/h15-17,19H,3-14H2,1-2H3,(H,20,23)/t15-,16+,17+,19-/m0/s1
InChIKeySRYLUXBYSLOSDG-FAJBIJEISA-N
MW337.51 g/mol
LogP1.72
Rot. Bonds7

About N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide

N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide (PubChem CID 110194890) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
PubChem CID110194890
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide
SMILESCOCCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C)[C@@H]23
InChIInChI=1S/C19H35N3O2/c1-21-14-15-6-4-11-22-12-5-7-16(19(15)22)17(21)8-3-9-18(23)20-10-13-24-2/h15-17,19H,3-14H2,1-2H3,(H,20,23)/t15-,16+,17+,19-/m0/s1
InChIKeySRYLUXBYSLOSDG-FAJBIJEISA-N
XLogP1.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide (CID 110194890) is N-(2-methoxyethyl)-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-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide is COCCNC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C)[C@@H]23.
What is the InChIKey of N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
The InChIKey is SRYLUXBYSLOSDG-FAJBIJEISA-N. The full InChI is InChI=1S/C19H35N3O2/c1-21-14-15-6-4-11-22-12-5-7-16(19(15)22)17(21)8-3-9-18(23)20-10-13-24-2/h15-17,19H,3-14H2,1-2H3,(H,20,23)/t15-,16+,17+,19-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide?
N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide has a molecular weight of 337.51 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanamide is sourced from PubChem (CID 110194890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).