N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide

C20H33N3O2 — CID 42706400

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCN(C)c1ccc(CN(CCN2CCOCC2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-20(2,3)19(24)23(11-10-22-12-14-25-15-13-22)16-17-6-8-18(9-7-17)21(4)5/h6-9H,10-16H2,1-5H3
InChIKeyKHPIFKNULKITEE-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.46
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide

N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 42706400) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID42706400
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCN(C)c1ccc(CN(CCN2CCOCC2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-20(2,3)19(24)23(11-10-22-12-14-25-15-13-22)16-17-6-8-18(9-7-17)21(4)5/h6-9H,10-16H2,1-5H3
InChIKeyKHPIFKNULKITEE-UHFFFAOYSA-N
XLogP2.46
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
3-(2-bromophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706414
N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 42701623
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42706419
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 42695374
1-[[4-(dimethylamino)phenyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42701635
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4249188
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 42701638
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
CID 770757
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 5086128
ethyl 4-[[[4-(dimethylamino)phenyl]methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate
CID 4154052
N-(1,3-benzodioxol-4-ylmethyl)-2-methyl-N-(2-morpholin-4-ylethyl)-2-phenylpropanamide
CID 42793391

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide (CID 42706400) is N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide is CN(C)c1ccc(CN(CCN2CCOCC2)C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is KHPIFKNULKITEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-20(2,3)19(24)23(11-10-22-12-14-25-15-13-22)16-17-6-8-18(9-7-17)21(4)5/h6-9H,10-16H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide?
N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 347.50 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 42706400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).