N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide

C18H29N3O2 — CID 108960228

IUPACN-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-18(2,17(23)20-13-14-21(3)4)16(22)19-12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyLDTMAUBCOGWVBT-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.44
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide

N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide (PubChem CID 108960228) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
PubChem CID108960228
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)NCCCc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-18(2,17(23)20-13-14-21(3)4)16(22)19-12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyLDTMAUBCOGWVBT-UHFFFAOYSA-N
XLogP1.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide
CID 166390711
3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
CID 65269650
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108960183
methyl 2-[[2,2-dimethyl-3-oxo-3-(3-phenylpropylamino)propanoyl]amino]benzoate
CID 108965859
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965816
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965837
2-amino-2-methyl-N-(5-phenylpentyl)propanamide
CID 119317062
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
2-(benzenesulfonyl)-2-methyl-N-(3-phenylpropyl)propanamide
CID 155557565
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide (CID 108960228) is N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide is CN(C)CCNC(=O)C(C)(C)C(=O)NCCCc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
The InChIKey is LDTMAUBCOGWVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,17(23)20-13-14-21(3)4)16(22)19-12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,8,11-14H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide has a molecular weight of 319.45 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 108960228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).