N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide

C18H35N3O3 — CID 87003456

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide
SMILESCCC(CC)C(CNC(=O)N1CCOC(C)(C)C1)N1CCOCC1
InChIInChI=1S/C18H35N3O3/c1-5-15(6-2)16(20-7-10-23-11-8-20)13-19-17(22)21-9-12-24-18(3,4)14-21/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyQJEFWSPYITWJQI-UHFFFAOYSA-N
MW341.50 g/mol
LogP1.94
Rot. Bonds6

About N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 87003456) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide
PubChem CID87003456
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide
SMILESCCC(CC)C(CNC(=O)N1CCOC(C)(C)C1)N1CCOCC1
InChIInChI=1S/C18H35N3O3/c1-5-15(6-2)16(20-7-10-23-11-8-20)13-19-17(22)21-9-12-24-18(3,4)14-21/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyQJEFWSPYITWJQI-UHFFFAOYSA-N
XLogP1.94
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-1,4-thiazepane-4-carboxamide
CID 87003452
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
CID 42954539
1-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 119841656
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87003458
2-(cyclopropylmethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 119841694
6-acetamido-N-(3-ethyl-2-morpholin-4-ylpentyl)hexanamide
CID 55634041
4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838552
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(methylamino)butanamide;dihydrochloride
CID 119841667
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111936253
4-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646355

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide (CID 87003456) is N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide is CCC(CC)C(CNC(=O)N1CCOC(C)(C)C1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is QJEFWSPYITWJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-5-15(6-2)16(20-7-10-23-11-8-20)13-19-17(22)21-9-12-24-18(3,4)14-21/h15-16H,5-14H2,1-4H3,(H,19,22).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 87003456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).