2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide

C18H28N2O2 — CID 108963827

IUPAC2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
SMILESCC(C)CCNC(=O)C(C)(C)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14(2)10-12-19-16(21)18(3,4)17(22)20-13-11-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRRXLAAQNOGILQD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.53
Rot. Bonds8

About 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide

2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide (PubChem CID 108963827) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
PubChem CID108963827
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
SMILESCC(C)CCNC(=O)C(C)(C)C(=O)NCCc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14(2)10-12-19-16(21)18(3,4)17(22)20-13-11-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRRXLAAQNOGILQD-UHFFFAOYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide
CID 108966324
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
3-(4-benzylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylbutyl)-3-oxopropanamide
CID 108964802
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963911
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966311
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966294
2-amino-2-methyl-N-(2-phenylethyl)butanamide
CID 73062281
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide (CID 108963827) is 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide is CC(C)CCNC(=O)C(C)(C)C(=O)NCCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide?
The InChIKey is RRXLAAQNOGILQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)10-12-19-16(21)18(3,4)17(22)20-13-11-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide?
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide has a molecular weight of 304.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide is sourced from PubChem (CID 108963827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).