N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H30N2O4 — CID 134053091

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCC(CC)C(CNC(=O)C1COc2ccccc2O1)N1CCOCC1
InChIInChI=1S/C20H30N2O4/c1-3-15(4-2)16(22-9-11-24-12-10-22)13-21-20(23)19-14-25-17-7-5-6-8-18(17)26-19/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyLWMGPTHWZSBSJD-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.08
Rot. Bonds7

About N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 134053091) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID134053091
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCC(CC)C(CNC(=O)C1COc2ccccc2O1)N1CCOCC1
InChIInChI=1S/C20H30N2O4/c1-3-15(4-2)16(22-9-11-24-12-10-22)13-21-20(23)19-14-25-17-7-5-6-8-18(17)26-19/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeyLWMGPTHWZSBSJD-UHFFFAOYSA-N
XLogP2.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 65031834
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 46529363
N-(4-chloro-2-methylbutyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114306218
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62665744
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
CID 42954539
4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-methoxybutanoic acid
CID 103153088
2-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-phenylpropanamide
CID 120595092
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(9-oxoacridin-10-yl)acetamide
CID 46410424
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78863262
(3S)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30523490
(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7242232
(3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94777050

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 134053091) is N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCC(CC)C(CNC(=O)C1COc2ccccc2O1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is LWMGPTHWZSBSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-3-15(4-2)16(22-9-11-24-12-10-22)13-21-20(23)19-14-25-17-7-5-6-8-18(17)26-19/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,21,23).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 134053091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).