N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide

C14H18N2O4 — CID 95719072

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide
SMILESO=C(C[C@H]1COCCN1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O4/c17-14(6-11-8-18-4-3-15-11)16-7-10-1-2-12-13(5-10)20-9-19-12/h1-2,5,11,15H,3-4,6-9H2,(H,16,17)/t11-/m0/s1
InChIKeyNTZRZBCNOFZJOH-NSHDSACASA-N
MW278.31 g/mol
LogP0.41
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide (PubChem CID 95719072) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide
PubChem CID95719072
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide
SMILESO=C(C[C@H]1COCCN1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O4/c17-14(6-11-8-18-4-3-15-11)16-7-10-1-2-12-13(5-10)20-9-19-12/h1-2,5,11,15H,3-4,6-9H2,(H,16,17)/t11-/m0/s1
InChIKeyNTZRZBCNOFZJOH-NSHDSACASA-N
XLogP0.41
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162
1-(1,3-benzodioxol-5-ylmethyl)-3-(oxolan-3-yl)urea
CID 115755744
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide
CID 114956082
2-(azocan-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 8583734
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 54657586
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 54657588
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222598
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522048

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide (CID 95719072) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide is O=C(C[C@H]1COCCN1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide?
The InChIKey is NTZRZBCNOFZJOH-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O4/c17-14(6-11-8-18-4-3-15-11)16-7-10-1-2-12-13(5-10)20-9-19-12/h1-2,5,11,15H,3-4,6-9H2,(H,16,17)/t11-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide is sourced from PubChem (CID 95719072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).