N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide

C15H22N2O2 — CID 108945744

IUPACN',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
SMILESCCN(CC)C(=O)CC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H22N2O2/c1-4-17(5-2)15(19)10-14(18)16-11-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyVAUWIGZAZRZFOP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.87
Rot. Bonds6

About N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide

N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide (PubChem CID 108945744) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
PubChem CID108945744
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
SMILESCCN(CC)C(=O)CC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C15H22N2O2/c1-4-17(5-2)15(19)10-14(18)16-11-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyVAUWIGZAZRZFOP-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
N-[(4-methylphenyl)methyl]but-3-ynamide
CID 164657026
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
CID 34827481
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823
2-isocyano-N-[(4-methylphenyl)methyl]acetamide
CID 59099004
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945732

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide?
The IUPAC name of N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide (CID 108945744) is N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide?
The canonical SMILES for N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide is CCN(CC)C(=O)CC(=O)NCc1ccc(C)cc1.
What is the InChIKey of N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide?
The InChIKey is VAUWIGZAZRZFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-17(5-2)15(19)10-14(18)16-11-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide?
N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide has a molecular weight of 262.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).