N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide

C23H30N2O2 — CID 108966324

IUPACN-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide
SMILESCC(C)CCNC(=O)C(C)(C)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-18(2)15-16-24-21(26)23(3,4)22(27)25(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,18H,15-17H2,1-4H3,(H,24,26)
InChIKeyKBIFGSVWFNYOMD-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.41
Rot. Bonds8

About N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide

N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide (PubChem CID 108966324) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide
PubChem CID108966324
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC NameN-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide
SMILESCC(C)CCNC(=O)C(C)(C)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-18(2)15-16-24-21(26)23(3,4)22(27)25(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,18H,15-17H2,1-4H3,(H,24,26)
InChIKeyKBIFGSVWFNYOMD-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide 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

2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
3-(4-benzylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylbutyl)-3-oxopropanamide
CID 108964802
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
CID 133148950
tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 68573466
2-[benzyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133148978
N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide
CID 108959951
2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 60839596
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide
CID 109023063
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966311

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide (CID 108966324) is N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide is CC(C)CCNC(=O)C(C)(C)C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide?
The InChIKey is KBIFGSVWFNYOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(2)15-16-24-21(26)23(3,4)22(27)25(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,18H,15-17H2,1-4H3,(H,24,26).
What are the key properties of N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide?
N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide has a molecular weight of 366.50 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide is sourced from PubChem (CID 108966324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).