4-[(morpholin-4-ylamino)methyl]benzamide

C12H17N3O2 — CID 83012003

IUPAC4-[(morpholin-4-ylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNN2CCOCC2)cc1
InChIInChI=1S/C12H17N3O2/c13-12(16)11-3-1-10(2-4-11)9-14-15-5-7-17-8-6-15/h1-4,14H,5-9H2,(H2,13,16)
InChIKeyPAPVJSLOAXKOGA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.12
Rot. Bonds4

About 4-[(morpholin-4-ylamino)methyl]benzamide

4-[(morpholin-4-ylamino)methyl]benzamide (PubChem CID 83012003) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[(morpholin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(morpholin-4-ylamino)methyl]benzamide
PubChem CID83012003
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[(morpholin-4-ylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNN2CCOCC2)cc1
InChIInChI=1S/C12H17N3O2/c13-12(16)11-3-1-10(2-4-11)9-14-15-5-7-17-8-6-15/h1-4,14H,5-9H2,(H2,13,16)
InChIKeyPAPVJSLOAXKOGA-UHFFFAOYSA-N
XLogP0.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(morpholin-4-ylamino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
N-[(4-iodophenyl)methyl]morpholin-4-amine
CID 83022461
3-[(morpholin-4-ylamino)methyl]benzoic acid
CID 103261048
4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
CID 103768922
4-[[[N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111374395
4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
CID 34710306
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-4-amine
CID 83011765
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107
2,2,2-trifluoro-N-[3-[(morpholin-4-ylamino)methyl]phenyl]acetamide
CID 82996693
5-[(morpholin-4-ylamino)methyl]thiophene-2-carboxylic acid
CID 103261043

Frequently Asked Questions

What is the IUPAC name of 4-[(morpholin-4-ylamino)methyl]benzamide?
The IUPAC name of 4-[(morpholin-4-ylamino)methyl]benzamide (CID 83012003) is 4-[(morpholin-4-ylamino)methyl]benzamide.
What is the SMILES notation for 4-[(morpholin-4-ylamino)methyl]benzamide?
The canonical SMILES for 4-[(morpholin-4-ylamino)methyl]benzamide is NC(=O)c1ccc(CNN2CCOCC2)cc1.
What is the InChIKey of 4-[(morpholin-4-ylamino)methyl]benzamide?
The InChIKey is PAPVJSLOAXKOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(16)11-3-1-10(2-4-11)9-14-15-5-7-17-8-6-15/h1-4,14H,5-9H2,(H2,13,16).
What are the key properties of 4-[(morpholin-4-ylamino)methyl]benzamide?
4-[(morpholin-4-ylamino)methyl]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(morpholin-4-ylamino)methyl]benzamide is sourced from PubChem (CID 83012003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).