N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide

C24H30N2O3 — CID 108959064

IUPACN-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H30N2O3/c1-24(2,22(27)25-19-11-7-4-8-12-19)23(28)26-20-13-15-21(16-14-20)29-17-18-9-5-3-6-10-18/h3,5-6,9-10,13-16,19H,4,7-8,11-12,17H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDXIVKFQVSWMSIT-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.68
Rot. Bonds7

About N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide

N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide (PubChem CID 108959064) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
PubChem CID108959064
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C24H30N2O3/c1-24(2,22(27)25-19-11-7-4-8-12-19)23(28)26-20-13-15-21(16-14-20)29-17-18-9-5-3-6-10-18/h3,5-6,9-10,13-16,19H,4,7-8,11-12,17H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyDXIVKFQVSWMSIT-UHFFFAOYSA-N
XLogP4.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.68
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-cyclopropyl-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108957501
N-(4-tert-butylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966101
N-(4-acetamidophenyl)-N'-cyclopentyl-2,2-dimethylpropanediamide
CID 108958674
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108957499
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
cyclooctyl-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]azanium
CID 2317950
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide?
The IUPAC name of N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide (CID 108959064) is N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide.
What is the SMILES notation for N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide?
The canonical SMILES for N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide is CC(C)(C(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide?
The InChIKey is DXIVKFQVSWMSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,22(27)25-19-11-7-4-8-12-19)23(28)26-20-13-15-21(16-14-20)29-17-18-9-5-3-6-10-18/h3,5-6,9-10,13-16,19H,4,7-8,11-12,17H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide?
N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide has a molecular weight of 394.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide is sourced from PubChem (CID 108959064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).