1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine

C14H21N5O2 — CID 116516298

IUPAC1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine
SMILESNN/C(=N\CCC(=O)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C14H21N5O2/c15-18-14(17-12-4-2-1-3-5-12)16-7-6-13(20)19-8-10-21-11-9-19/h1-5H,6-11,15H2,(H2,16,17,18)
InChIKeyMXGCBHOWZBAJHL-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.17
Rot. Bonds4

About 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine

1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine (PubChem CID 116516298) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine
PubChem CID116516298
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine
SMILESNN/C(=N\CCC(=O)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C14H21N5O2/c15-18-14(17-12-4-2-1-3-5-12)16-7-6-13(20)19-8-10-21-11-9-19/h1-5H,6-11,15H2,(H2,16,17,18)
InChIKeyMXGCBHOWZBAJHL-UHFFFAOYSA-N
XLogP0.17
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1-phenylguanidine
CID 110916862
1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 116515102
4-(3-morpholin-4-ylpropanoyl)-N-phenylpiperazine-1-carboxamide
CID 110422657
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one
CID 113411257
2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927943
2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]-N-phenylacetamide
CID 9391214
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine (CID 116516298) is 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine is NN/C(=N\CCC(=O)N1CCOCC1)Nc1ccccc1.
What is the InChIKey of 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine?
The InChIKey is MXGCBHOWZBAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-18-14(17-12-4-2-1-3-5-12)16-7-6-13(20)19-8-10-21-11-9-19/h1-5H,6-11,15H2,(H2,16,17,18).
What are the key properties of 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine?
1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine has a molecular weight of 291.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-morpholin-4-yl-3-oxopropyl)-3-phenylguanidine is sourced from PubChem (CID 116516298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).