N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide

C19H31N3O3 — CID 70974395

IUPACN-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC1C=CC(C(=O)N2CC(C)OC(C)C2)=CC1
InChIInChI=1S/C19H31N3O3/c1-14-12-22(13-15(2)25-14)19(24)16-7-9-17(10-8-16)21-18(23)6-4-5-11-20-3/h7-9,14-15,17,20H,4-6,10-13H2,1-3H3,(H,21,23)
InChIKeyLJPBZGIRNZBAFV-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.38
Rot. Bonds7

About N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide

N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide (PubChem CID 70974395) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide
PubChem CID70974395
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC1C=CC(C(=O)N2CC(C)OC(C)C2)=CC1
InChIInChI=1S/C19H31N3O3/c1-14-12-22(13-15(2)25-14)19(24)16-7-9-17(10-8-16)21-18(23)6-4-5-11-20-3/h7-9,14-15,17,20H,4-6,10-13H2,1-3H3,(H,21,23)
InChIKeyLJPBZGIRNZBAFV-UHFFFAOYSA-N
XLogP1.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.38
H-Bond Donors ≤ 52
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-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide (CID 70974395) is N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide is CNCCCCC(=O)NC1C=CC(C(=O)N2CC(C)OC(C)C2)=CC1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide?
The InChIKey is LJPBZGIRNZBAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14-12-22(13-15(2)25-14)19(24)16-7-9-17(10-8-16)21-18(23)6-4-5-11-20-3/h7-9,14-15,17,20H,4-6,10-13H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide?
N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide has a molecular weight of 349.48 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide is sourced from PubChem (CID 70974395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).