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

C17H26N2O3 — CID 108951934

IUPACN-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C17H26N2O3/c1-4-5-8-11-18-16(20)12-17(21)19-14-9-6-7-10-15(14)22-13(2)3/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyXRYAHDBGGNVOQC-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.11
Rot. Bonds9

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

N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108951934) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108951934
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C17H26N2O3/c1-4-5-8-11-18-16(20)12-17(21)19-14-9-6-7-10-15(14)22-13(2)3/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyXRYAHDBGGNVOQC-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-3-(2-propan-2-yloxyanilino)propanamide
CID 109032164
N-butyl-N'-(2-methoxyphenyl)propanediamide
CID 108941476
1-N-pentyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979800
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
1-N-butyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971107
N-[(2-chlorophenyl)methyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108946630
N-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
CID 17151100
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108951934) is N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide is CCCCCNC(=O)CC(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is XRYAHDBGGNVOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-5-8-11-18-16(20)12-17(21)19-14-9-6-7-10-15(14)22-13(2)3/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 306.41 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108951934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).