N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide

C19H32N4O2 — CID 109016821

IUPACN-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCCN2CCOCC2)cc1
InChIInChI=1S/C19H32N4O2/c1-3-23(4-2)18-7-5-17(6-8-18)21-19(24)9-10-20-11-12-22-13-15-25-16-14-22/h5-8,20H,3-4,9-16H2,1-2H3,(H,21,24)
InChIKeyTUUBSNAAEMYEER-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.78
Rot. Bonds10

About N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide

N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide (PubChem CID 109016821) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
PubChem CID109016821
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCNCCN2CCOCC2)cc1
InChIInChI=1S/C19H32N4O2/c1-3-23(4-2)18-7-5-17(6-8-18)21-19(24)9-10-20-11-12-22-13-15-25-16-14-22/h5-8,20H,3-4,9-16H2,1-2H3,(H,21,24)
InChIKeyTUUBSNAAEMYEER-UHFFFAOYSA-N
XLogP1.78
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109016776
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016826
2-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994999
N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016771
N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016791
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863132
N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016834
2-(2-morpholin-4-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816686
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
CID 50827153
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide (CID 109016821) is N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide is CCN(CC)c1ccc(NC(=O)CCNCCN2CCOCC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide?
The InChIKey is TUUBSNAAEMYEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-23(4-2)18-7-5-17(6-8-18)21-19(24)9-10-20-11-12-22-13-15-25-16-14-22/h5-8,20H,3-4,9-16H2,1-2H3,(H,21,24).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide?
N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide has a molecular weight of 348.49 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 109016821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).