N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide

C20H24N2O3 — CID 108947063

IUPACN-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)16-6-8-17(9-7-16)22-20(24)12-19(23)21-13-15-4-10-18(25-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRKISLZBDUNHVOO-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.46
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide

N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide (PubChem CID 108947063) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
PubChem CID108947063
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)16-6-8-17(9-7-16)22-20(24)12-19(23)21-13-15-4-10-18(25-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRKISLZBDUNHVOO-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.46
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'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947082
N'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947088
1-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)thiourea
CID 972265
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126259031
N-[(4-methoxyphenyl)methylcarbamothioyl]-4-propan-2-ylbenzamide
CID 17230602
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide (CID 108947063) is N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide is COc1ccc(CNC(=O)CC(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide?
The InChIKey is RKISLZBDUNHVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)16-6-8-17(9-7-16)22-20(24)12-19(23)21-13-15-4-10-18(25-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide?
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide has a molecular weight of 340.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108947063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).