N-[3-(diethylamino)propyl]morpholine-4-carboxamide

C12H25N3O2 — CID 3410818

IUPACN-[3-(diethylamino)propyl]morpholine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-14(4-2)7-5-6-13-12(16)15-8-10-17-11-9-15/h3-11H2,1-2H3,(H,13,16)
InChIKeyPTYKGDNXURTEQS-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.76
Rot. Bonds6

About N-[3-(diethylamino)propyl]morpholine-4-carboxamide

N-[3-(diethylamino)propyl]morpholine-4-carboxamide (PubChem CID 3410818) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]morpholine-4-carboxamide
PubChem CID3410818
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[3-(diethylamino)propyl]morpholine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-14(4-2)7-5-6-13-12(16)15-8-10-17-11-9-15/h3-11H2,1-2H3,(H,13,16)
InChIKeyPTYKGDNXURTEQS-UHFFFAOYSA-N
XLogP0.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(diethylamino)propyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]morpholine-4-carboxamide (CID 3410818) is N-[3-(diethylamino)propyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]morpholine-4-carboxamide is CCN(CC)CCCNC(=O)N1CCOCC1.
What is the InChIKey of N-[3-(diethylamino)propyl]morpholine-4-carboxamide?
The InChIKey is PTYKGDNXURTEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-14(4-2)7-5-6-13-12(16)15-8-10-17-11-9-15/h3-11H2,1-2H3,(H,13,16).
What are the key properties of N-[3-(diethylamino)propyl]morpholine-4-carboxamide?
N-[3-(diethylamino)propyl]morpholine-4-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 3410818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).