2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide

C16H31N3O3 — CID 108960403

IUPAC2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H31N3O3/c1-4-5-6-7-17-14(20)16(2,3)15(21)18-8-9-19-10-12-22-13-11-19/h4-13H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFRHRPFUKZVVQKK-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.77
Rot. Bonds9

About 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide

2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide (PubChem CID 108960403) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
PubChem CID108960403
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H31N3O3/c1-4-5-6-7-17-14(20)16(2,3)15(21)18-8-9-19-10-12-22-13-11-19/h4-13H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFRHRPFUKZVVQKK-UHFFFAOYSA-N
XLogP0.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108958733
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
1-hexyl-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111023845
(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 7375443
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
(2R)-2,3-dichloro-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 7375440
1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea
CID 18968658

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide (CID 108960403) is 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide is CCCCCNC(=O)C(C)(C)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide?
The InChIKey is FRHRPFUKZVVQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-4-5-6-7-17-14(20)16(2,3)15(21)18-8-9-19-10-12-22-13-11-19/h4-13H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide?
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide has a molecular weight of 313.44 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide is sourced from PubChem (CID 108960403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).