5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide

C19H33N3O2 — CID 70892580

IUPAC5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide
SMILESCC1=C(N2C[C@@H](C)O[C@@H](C)C2)C(C)CC(NC(=O)CCCCN)=C1
InChIInChI=1S/C19H33N3O2/c1-13-9-17(21-18(23)7-5-6-8-20)10-14(2)19(13)22-11-15(3)24-16(4)12-22/h9,14-16H,5-8,10-12,20H2,1-4H3,(H,21,23)/t14?,15-,16+
InChIKeyZODXDUQBFUBSSU-MQVJKMGUSA-N
MW335.49 g/mol
LogP2.54
Rot. Bonds6

About 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide

5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide (PubChem CID 70892580) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide
PubChem CID70892580
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide
SMILESCC1=C(N2C[C@@H](C)O[C@@H](C)C2)C(C)CC(NC(=O)CCCCN)=C1
InChIInChI=1S/C19H33N3O2/c1-13-9-17(21-18(23)7-5-6-8-20)10-14(2)19(13)22-11-15(3)24-16(4)12-22/h9,14-16H,5-8,10-12,20H2,1-4H3,(H,21,23)/t14?,15-,16+
InChIKeyZODXDUQBFUBSSU-MQVJKMGUSA-N
XLogP2.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide 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 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide?
The IUPAC name of 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide (CID 70892580) is 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide.
What is the SMILES notation for 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide?
The canonical SMILES for 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide is CC1=C(N2C[C@@H](C)O[C@@H](C)C2)C(C)CC(NC(=O)CCCCN)=C1.
What is the InChIKey of 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide?
The InChIKey is ZODXDUQBFUBSSU-MQVJKMGUSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-13-9-17(21-18(23)7-5-6-8-20)10-14(2)19(13)22-11-15(3)24-16(4)12-22/h9,14-16H,5-8,10-12,20H2,1-4H3,(H,21,23)/t14?,15-,16+.
What are the key properties of 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide?
5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide has a molecular weight of 335.49 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide is sourced from PubChem (CID 70892580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).