3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide

C17H24N4O3 — CID 123829103

IUPAC3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide
SMILES[H]/N=C(\c1ccc(C(=O)N2CCOCC2)cc1)C(C)(NC)C(=O)NC
InChIInChI=1S/C17H24N4O3/c1-17(20-3,16(23)19-2)14(18)12-4-6-13(7-5-12)15(22)21-8-10-24-11-9-21/h4-7,18,20H,8-11H2,1-3H3,(H,19,23)/b18-14+
InChIKeySSAUOPOJBHPVFR-NBVRZTHBSA-N
MW332.40 g/mol
LogP0.25
Rot. Bonds5

About 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide

3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide (PubChem CID 123829103) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide
PubChem CID123829103
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide
SMILES[H]/N=C(\c1ccc(C(=O)N2CCOCC2)cc1)C(C)(NC)C(=O)NC
InChIInChI=1S/C17H24N4O3/c1-17(20-3,16(23)19-2)14(18)12-4-6-13(7-5-12)15(22)21-8-10-24-11-9-21/h4-7,18,20H,8-11H2,1-3H3,(H,19,23)/b18-14+
InChIKeySSAUOPOJBHPVFR-NBVRZTHBSA-N
XLogP0.25
TPSA94.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-2-(hydroxyamino)-3-imino-N,2-dimethylpropanamide
CID 144970226
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569
2,2-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]propanamide
CID 17195011
N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide
CID 171130040
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
CID 87027248
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238

Frequently Asked Questions

What is the IUPAC name of 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide?
The IUPAC name of 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide (CID 123829103) is 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide is [H]/N=C(\c1ccc(C(=O)N2CCOCC2)cc1)C(C)(NC)C(=O)NC.
What is the InChIKey of 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide?
The InChIKey is SSAUOPOJBHPVFR-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(20-3,16(23)19-2)14(18)12-4-6-13(7-5-12)15(22)21-8-10-24-11-9-21/h4-7,18,20H,8-11H2,1-3H3,(H,19,23)/b18-14+.
What are the key properties of 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide?
3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide has a molecular weight of 332.40 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 123829103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).