3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C18H29N3O2 — CID 24555346

IUPAC3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H29N3O2/c1-6-21(13-17(22)19-14(2)3)18(23)12-9-15-7-10-16(11-8-15)20(4)5/h7-8,10-11,14H,6,9,12-13H2,1-5H3,(H,19,22)
InChIKeySUWKSULMLMMHSY-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.06
Rot. Bonds8

About 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 24555346) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID24555346
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C18H29N3O2/c1-6-21(13-17(22)19-14(2)3)18(23)12-9-15-7-10-16(11-8-15)20(4)5/h7-8,10-11,14H,6,9,12-13H2,1-5H3,(H,19,22)
InChIKeySUWKSULMLMMHSY-UHFFFAOYSA-N
XLogP2.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377688
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78789833
3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 61037410
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
CID 54869110
3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027322
3-(4-aminophenyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61107025
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 78788550
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 24657890
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 24555346) is 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CCN(CC(=O)NC(C)C)C(=O)CCc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is SUWKSULMLMMHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-6-21(13-17(22)19-14(2)3)18(23)12-9-15-7-10-16(11-8-15)20(4)5/h7-8,10-11,14H,6,9,12-13H2,1-5H3,(H,19,22).
What are the key properties of 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 24555346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).