N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide

C18H26N2O4 — CID 110287527

IUPACN-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C18H26N2O4/c1-2-3-4-18(21)19-12-15(20-7-9-22-10-8-20)14-5-6-16-17(11-14)24-13-23-16/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,19,21)
InChIKeyBYUMWWVWCJKYKM-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.10
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide

N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide (PubChem CID 110287527) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide
PubChem CID110287527
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C18H26N2O4/c1-2-3-4-18(21)19-12-15(20-7-9-22-10-8-20)14-5-6-16-17(11-14)24-13-23-16/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,19,21)
InChIKeyBYUMWWVWCJKYKM-UHFFFAOYSA-N
XLogP2.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]pentanamide
CID 110287494
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-3,3-dimethylbutanamide
CID 7285774
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-(4-chlorophenyl)acetamide
CID 22583873
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7285809
2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110626613
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-(3-phenylpropyl)oxamide
CID 27558089
phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate
CID 18574642
N'-[2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N-butyloxamide
CID 18574688
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-phenyloxamide
CID 7285765
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 7285718
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-fluorobenzamide
CID 7285686

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide (CID 110287527) is N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide is CCCCC(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide?
The InChIKey is BYUMWWVWCJKYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-3-4-18(21)19-12-15(20-7-9-22-10-8-20)14-5-6-16-17(11-14)24-13-23-16/h5-6,11,15H,2-4,7-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide?
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide has a molecular weight of 334.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide is sourced from PubChem (CID 110287527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).