4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride

C16H33Cl2N3O2 — CID 119894555

IUPAC4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NC(C)C1(N2CCOCC2)CCCC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-14(18-15(20)6-5-9-17-2)16(7-3-4-8-16)19-10-12-21-13-11-19;;/h14,17H,3-13H2,1-2H3,(H,18,20);2*1H
InChIKeyDPPWLNHERQXUKV-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.98
Rot. Bonds7

About 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride

4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride (PubChem CID 119894555) has the molecular formula C16H33Cl2N3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride
PubChem CID119894555
Molecular FormulaC16H33Cl2N3O2
Molecular Weight370.37 g/mol
Exact Mass369.19
IUPAC Name4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)NC(C)C1(N2CCOCC2)CCCC1.Cl.Cl
InChIInChI=1S/C16H31N3O2.2ClH/c1-14(18-15(20)6-5-9-17-2)16(7-3-4-8-16)19-10-12-21-13-11-19;;/h14,17H,3-13H2,1-2H3,(H,18,20);2*1H
InChIKeyDPPWLNHERQXUKV-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.98
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 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride (CID 119894555) is 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride is CNCCCC(=O)NC(C)C1(N2CCOCC2)CCCC1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride?
The InChIKey is DPPWLNHERQXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.2ClH/c1-14(18-15(20)6-5-9-17-2)16(7-3-4-8-16)19-10-12-21-13-11-19;;/h14,17H,3-13H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride?
4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride has a molecular weight of 370.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119894555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).