4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide

C15H24N4O2 — CID 63357336

IUPAC4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
SMILESCNC(=O)c1ccc(N)c(NCCCN2CCOCC2)c1
InChIInChI=1S/C15H24N4O2/c1-17-15(20)12-3-4-13(16)14(11-12)18-5-2-6-19-7-9-21-10-8-19/h3-4,11,18H,2,5-10,16H2,1H3,(H,17,20)
InChIKeyAPKBBIRNFXBVJD-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.76
Rot. Bonds6

About 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide

4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide (PubChem CID 63357336) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
PubChem CID63357336
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
SMILESCNC(=O)c1ccc(N)c(NCCCN2CCOCC2)c1
InChIInChI=1S/C15H24N4O2/c1-17-15(20)12-3-4-13(16)14(11-12)18-5-2-6-19-7-9-21-10-8-19/h3-4,11,18H,2,5-10,16H2,1H3,(H,17,20)
InChIKeyAPKBBIRNFXBVJD-UHFFFAOYSA-N
XLogP0.76
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 62710111
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789
5-amino-N-methyl-2-(2-morpholin-4-ylethylamino)benzamide
CID 100655710
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
3-amino-N-methyl-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 82991446
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
3-amino-4-(2-methoxyethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 67448727
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
4-bromo-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 43348214
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106103991

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide?
The IUPAC name of 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide (CID 63357336) is 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide?
The canonical SMILES for 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide is CNC(=O)c1ccc(N)c(NCCCN2CCOCC2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide?
The InChIKey is APKBBIRNFXBVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-15(20)12-3-4-13(16)14(11-12)18-5-2-6-19-7-9-21-10-8-19/h3-4,11,18H,2,5-10,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide?
4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide has a molecular weight of 292.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide is sourced from PubChem (CID 63357336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).