N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid

C16H25N5O4 — CID 13059619

IUPACN-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid
SMILESCC(C)(Oc1ccccc1)C(=O)O.[H]/N=C(\N=C(N)N)N1CCOCC1
InChIInChI=1S/C10H12O3.C6H13N5O/c1-10(2,9(11)12)13-8-6-4-3-5-7-8;7-5(8)10-6(9)11-1-3-12-4-2-11/h3-7H,1-2H3,(H,11,12);1-4H2,(H5,7,8,9,10)
InChIKeyQJJFKXVDSOPXHV-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.46
Rot. Bonds3

About N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid

N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid (PubChem CID 13059619) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid.

Molecular Properties

Compound NameN-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid
PubChem CID13059619
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC NameN-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid
SMILESCC(C)(Oc1ccccc1)C(=O)O.[H]/N=C(\N=C(N)N)N1CCOCC1
InChIInChI=1S/C10H12O3.C6H13N5O/c1-10(2,9(11)12)13-8-6-4-3-5-7-8;7-5(8)10-6(9)11-1-3-12-4-2-11/h3-7H,1-2H3,(H,11,12);1-4H2,(H5,7,8,9,10)
InChIKeyQJJFKXVDSOPXHV-UHFFFAOYSA-N
XLogP0.46
TPSA147.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-1,4-oxazepane-4-carboximidamide
CID 83037181
2-amino-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpropanamide
CID 120588933
2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile
CID 14076583
(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one
CID 126609472
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide
CID 30308724
2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 154646222
2-amino-3-imino-1-morpholin-4-yl-4-phenyliminobutan-1-one
CID 123288102
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide
CID 79152526
3-[3-(2-carboxypropan-2-yloxy)phenyl]piperidine-1-carboxylic acid
CID 18448442
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
(4-morpholin-4-yl-4-oxobutyl) N-(diaminomethylidene)carbamimidothioate
CID 83083008

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid?
The IUPAC name of N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid (CID 13059619) is N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid.
What is the SMILES notation for N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid?
The canonical SMILES for N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid is CC(C)(Oc1ccccc1)C(=O)O.[H]/N=C(\N=C(N)N)N1CCOCC1.
What is the InChIKey of N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid?
The InChIKey is QJJFKXVDSOPXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C6H13N5O/c1-10(2,9(11)12)13-8-6-4-3-5-7-8;7-5(8)10-6(9)11-1-3-12-4-2-11/h3-7H,1-2H3,(H,11,12);1-4H2,(H5,7,8,9,10).
What are the key properties of N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid?
N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid has a molecular weight of 351.41 g/mol, XLogP of 0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)morpholine-4-carboximidamide;2-methyl-2-phenoxypropanoic acid is sourced from PubChem (CID 13059619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).