N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide

C19H30N4O2 — CID 6894997

IUPACN-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCCN(CCC)c1ccc(/C=N/NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C19H30N4O2/c1-3-9-23(10-4-2)18-7-5-17(6-8-18)15-20-21-19(24)16-22-11-13-25-14-12-22/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,21,24)/b20-15+
InChIKeyJBYLMZZDRYJZFO-HMMYKYKNSA-N
MW346.48 g/mol
LogP2.10
Rot. Bonds9

About N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide

N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 6894997) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID6894997
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
SMILESCCCN(CCC)c1ccc(/C=N/NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C19H30N4O2/c1-3-9-23(10-4-2)18-7-5-17(6-8-18)15-20-21-19(24)16-22-11-13-25-14-12-22/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,21,24)/b20-15+
InChIKeyJBYLMZZDRYJZFO-HMMYKYKNSA-N
XLogP2.10
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide (CID 6894997) is N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide is CCCN(CCC)c1ccc(/C=N/NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is JBYLMZZDRYJZFO-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-9-23(10-4-2)18-7-5-17(6-8-18)15-20-21-19(24)16-22-11-13-25-14-12-22/h5-8,15H,3-4,9-14,16H2,1-2H3,(H,21,24)/b20-15+.
What are the key properties of N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide?
N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 346.48 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dipropylamino)phenyl]methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 6894997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).