N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide

C19H29N3O3 — CID 108959945

IUPACN-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-5-21(6-2)16-9-7-15(8-10-16)20-17(23)19(3,4)18(24)22-11-13-25-14-12-22/h7-10H,5-6,11-14H2,1-4H3,(H,20,23)
InChIKeyDQARNVVNWVVPGC-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.36
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide

N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide (PubChem CID 108959945) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
PubChem CID108959945
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O3/c1-5-21(6-2)16-9-7-15(8-10-16)20-17(23)19(3,4)18(24)22-11-13-25-14-12-22/h7-10H,5-6,11-14H2,1-4H3,(H,20,23)
InChIKeyDQARNVVNWVVPGC-UHFFFAOYSA-N
XLogP2.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967767
N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133406
2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108959884
N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968103
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765
3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
CID 65265051
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966789
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960941
2-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994999
N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016821
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958506

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide (CID 108959945) is N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide is CCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide?
The InChIKey is DQARNVVNWVVPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-21(6-2)16-9-7-15(8-10-16)20-17(23)19(3,4)18(24)22-11-13-25-14-12-22/h7-10H,5-6,11-14H2,1-4H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide?
N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide has a molecular weight of 347.46 g/mol, XLogP of 2.36, 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]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide is sourced from PubChem (CID 108959945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).