N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide

C23H30N2O3 — CID 108955809

IUPACN'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-14(2)17-8-7-9-18(15(3)4)23(17)25-22(27)13-21(26)24-19-12-16(5)10-11-20(19)28-6/h7-12,14-15H,13H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyFKDHMNBPWIVPQG-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.22
Rot. Bonds7

About N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide

N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide (PubChem CID 108955809) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide
PubChem CID108955809
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H30N2O3/c1-14(2)17-8-7-9-18(15(3)4)23(17)25-22(27)13-21(26)24-19-12-16(5)10-11-20(19)28-6/h7-12,14-15H,13H2,1-6H3,(H,24,26)(H,25,27)
InChIKeyFKDHMNBPWIVPQG-UHFFFAOYSA-N
XLogP5.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.22
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'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)oxamide
CID 108987294
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954579
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
N-(2-methoxy-5-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396925
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109268180
methyl 2-[[3-[2,6-di(propan-2-yl)anilino]-3-oxopropanoyl]amino]benzoate
CID 108956307
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 37471423

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide?
The IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide (CID 108955809) is N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide.
What is the SMILES notation for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide?
The canonical SMILES for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide is COc1ccc(C)cc1NC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide?
The InChIKey is FKDHMNBPWIVPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-14(2)17-8-7-9-18(15(3)4)23(17)25-22(27)13-21(26)24-19-12-16(5)10-11-20(19)28-6/h7-12,14-15H,13H2,1-6H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide?
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide has a molecular weight of 382.50 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide is sourced from PubChem (CID 108955809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).