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

C16H23N3O3 — CID 119853743

IUPACN-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)C1COCCN1
InChIInChI=1S/C16H23N3O3/c20-16(14-12-22-8-5-17-14)18-11-13-3-1-2-4-15(13)19-6-9-21-10-7-19/h1-4,14,17H,5-12H2,(H,18,20)
InChIKeyPMUBUTBKEITWET-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.13
Rot. Bonds4

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

N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide (PubChem CID 119853743) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
PubChem CID119853743
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)C1COCCN1
InChIInChI=1S/C16H23N3O3/c20-16(14-12-22-8-5-17-14)18-11-13-3-1-2-4-15(13)19-6-9-21-10-7-19/h1-4,14,17H,5-12H2,(H,18,20)
InChIKeyPMUBUTBKEITWET-UHFFFAOYSA-N
XLogP0.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119812800
(2S,4S)-2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120633841
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119892449
2-cyclohexylidene-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 51096916
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
(2S,5R)-5-(aminomethyl)-N-[(2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120798390
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide (CID 119853743) is N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide is O=C(NCc1ccccc1N1CCOCC1)C1COCCN1.
What is the InChIKey of N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide?
The InChIKey is PMUBUTBKEITWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-16(14-12-22-8-5-17-14)18-11-13-3-1-2-4-15(13)19-6-9-21-10-7-19/h1-4,14,17H,5-12H2,(H,18,20).
What are the key properties of N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide?
N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylphenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119853743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).