N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide

C18H27N3O4 — CID 119865335

IUPACN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)C1CNCCO1
InChIInChI=1S/C18H27N3O4/c22-18(17-14-19-4-8-25-17)20-13-15-2-1-3-16(12-15)24-11-7-21-5-9-23-10-6-21/h1-3,12,17,19H,4-11,13-14H2,(H,20,22)
InChIKeyHQBFTMVZBFUIPL-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.00
Rot. Bonds7

About N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide

N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide (PubChem CID 119865335) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide
PubChem CID119865335
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide
SMILESO=C(NCc1cccc(OCCN2CCOCC2)c1)C1CNCCO1
InChIInChI=1S/C18H27N3O4/c22-18(17-14-19-4-8-25-17)20-13-15-2-1-3-16(12-15)24-11-7-21-5-9-23-10-6-21/h1-3,12,17,19H,4-11,13-14H2,(H,20,22)
InChIKeyHQBFTMVZBFUIPL-UHFFFAOYSA-N
XLogP0.00
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22680140
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 48693485
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
4-[2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]phenoxy]ethyl]morpholine
CID 77084965
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide?
The IUPAC name of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide (CID 119865335) is N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide is O=C(NCc1cccc(OCCN2CCOCC2)c1)C1CNCCO1.
What is the InChIKey of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide?
The InChIKey is HQBFTMVZBFUIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c22-18(17-14-19-4-8-25-17)20-13-15-2-1-3-16(12-15)24-11-7-21-5-9-23-10-6-21/h1-3,12,17,19H,4-11,13-14H2,(H,20,22).
What are the key properties of N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide?
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 119865335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).