N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide

C19H22N2O3 — CID 108945297

IUPACN-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)24-17-11-7-6-10-16(17)21-19(23)12-18(22)20-13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMMKAAKFHTZVADQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.12
Rot. Bonds7

About N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide

N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108945297) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108945297
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)NCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)24-17-11-7-6-10-16(17)21-19(23)12-18(22)20-13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMMKAAKFHTZVADQ-UHFFFAOYSA-N
XLogP3.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-(2-ethoxyphenyl)propanediamide
CID 108945295
N-[(2-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945134
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108951934
2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54831154
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108945297) is N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is MMKAAKFHTZVADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)24-17-11-7-6-10-16(17)21-19(23)12-18(22)20-13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 326.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108945297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).