4-[(2-morpholin-4-ylethylamino)methyl]benzamide

C14H21N3O2 — CID 28583134

IUPAC4-[(2-morpholin-4-ylethylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNCCN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2/c15-14(18)13-3-1-12(2-4-13)11-16-5-6-17-7-9-19-10-8-17/h1-4,16H,5-11H2,(H2,15,18)
InChIKeyGBPVIVNITBPFIN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.21
Rot. Bonds6

About 4-[(2-morpholin-4-ylethylamino)methyl]benzamide

4-[(2-morpholin-4-ylethylamino)methyl]benzamide (PubChem CID 28583134) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(2-morpholin-4-ylethylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-morpholin-4-ylethylamino)methyl]benzamide
PubChem CID28583134
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[(2-morpholin-4-ylethylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNCCN2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2/c15-14(18)13-3-1-12(2-4-13)11-16-5-6-17-7-9-19-10-8-17/h1-4,16H,5-11H2,(H2,15,18)
InChIKeyGBPVIVNITBPFIN-UHFFFAOYSA-N
XLogP0.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 102663922
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
4-[(morpholin-4-ylamino)methyl]benzamide
CID 83012003
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
CID 115523459
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
CID 31136249
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066

Frequently Asked Questions

What is the IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]benzamide?
The IUPAC name of 4-[(2-morpholin-4-ylethylamino)methyl]benzamide (CID 28583134) is 4-[(2-morpholin-4-ylethylamino)methyl]benzamide.
What is the SMILES notation for 4-[(2-morpholin-4-ylethylamino)methyl]benzamide?
The canonical SMILES for 4-[(2-morpholin-4-ylethylamino)methyl]benzamide is NC(=O)c1ccc(CNCCN2CCOCC2)cc1.
What is the InChIKey of 4-[(2-morpholin-4-ylethylamino)methyl]benzamide?
The InChIKey is GBPVIVNITBPFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(18)13-3-1-12(2-4-13)11-16-5-6-17-7-9-19-10-8-17/h1-4,16H,5-11H2,(H2,15,18).
What are the key properties of 4-[(2-morpholin-4-ylethylamino)methyl]benzamide?
4-[(2-morpholin-4-ylethylamino)methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-morpholin-4-ylethylamino)methyl]benzamide is sourced from PubChem (CID 28583134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).