N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide

C15H22N2O2 — CID 108941562

IUPACN-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
SMILESCc1ccccc1CNC(=O)CC(=O)NCC(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)9-16-14(18)8-15(19)17-10-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNCTQLUOGFIJZSA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide

N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide (PubChem CID 108941562) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
PubChem CID108941562
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
SMILESCc1ccccc1CNC(=O)CC(=O)NCC(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)9-16-14(18)8-15(19)17-10-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNCTQLUOGFIJZSA-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.77
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

2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 60695447
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
N'-(2-ethyl-6-methylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945437
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
(E)-3-methyl-N-[(2-methylphenyl)methyl]-4-sulfanylbut-3-enamide
CID 178170772

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide (CID 108941562) is N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide is Cc1ccccc1CNC(=O)CC(=O)NCC(C)C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide?
The InChIKey is NCTQLUOGFIJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)9-16-14(18)8-15(19)17-10-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide?
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide has a molecular weight of 262.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide is sourced from PubChem (CID 108941562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).