N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

C19H27N3O3 — CID 109133406

IUPACN-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-21(4-2)15-7-5-14(6-8-15)20-18(23)16-13-17(16)19(24)22-9-11-25-12-10-22/h5-8,16-17H,3-4,9-13H2,1-2H3,(H,20,23)
InChIKeyJUBNIWZEZFNEMA-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.97
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109133406) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
PubChem CID109133406
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-21(4-2)15-7-5-14(6-8-15)20-18(23)16-13-17(16)19(24)22-9-11-25-12-10-22/h5-8,16-17H,3-4,9-13H2,1-2H3,(H,20,23)
InChIKeyJUBNIWZEZFNEMA-UHFFFAOYSA-N
XLogP1.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
CID 844901
N-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 6461546
N-[4-(morpholin-4-yl)phenyl]butanamide
CID 774884
N-(4-morpholinophenyl)docos-13-enamide
CID 44406101
3-methyl-N-[4-(morpholin-4-yl)phenyl]butanamide
CID 960348
N-(2-morpholin-4-ylphenyl)hexanamide
CID 1798230
3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2411866
(5Z,8Z,11Z,14Z)-N-(4-morpholinophenyl)icosa-5,8,11,14-tetraenamide
CID 44406108
N-{4-[acetyl(methyl)amino]phenyl}morpholine-4-carboxamide
CID 670761
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 6459312
2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]-N-phenylacetamide
CID 9391214
2-Pyrrolidinone, 4-(morpholinocarbonyl)-1-phenyl-
CID 217788

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (CID 109133406) is N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC2C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is JUBNIWZEZFNEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-21(4-2)15-7-5-14(6-8-15)20-18(23)16-13-17(16)19(24)22-9-11-25-12-10-22/h5-8,16-17H,3-4,9-13H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109133406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).