N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

C22H36N2O3 — CID 51362485

IUPACN-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCCCCOCCCNC(=O)CC(C)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H36N2O3/c1-5-6-13-27-14-7-12-23-21(25)15-18(4)16-22(26)24-20-10-8-19(9-11-20)17(2)3/h8-11,17-18H,5-7,12-16H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyQMRXHPPAOYYKGZ-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.49
Rot. Bonds13

About N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide

N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (PubChem CID 51362485) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
PubChem CID51362485
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
SMILESCCCCOCCCNC(=O)CC(C)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H36N2O3/c1-5-6-13-27-14-7-12-23-21(25)15-18(4)16-22(26)24-20-10-8-19(9-11-20)17(2)3/h8-11,17-18H,5-7,12-16H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyQMRXHPPAOYYKGZ-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[3-(diethylamino)propyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323883
N-(2-ethylhexyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 4567279
4-amino-N-(3-butoxypropyl)-3-methylbutanamide
CID 115737913
1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea
CID 82946717
N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 5122377
4-oxo-2-(pentylamino)-4-(4-propan-2-ylanilino)butanoic acid
CID 3355492
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N'-(2-methoxyethyl)-3-methyl-N-phenylpentanediamide
CID 3607807
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide
CID 160587393
(3S)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7318082
(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323922

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The IUPAC name of N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide (CID 51362485) is N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The canonical SMILES for N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is CCCCOCCCNC(=O)CC(C)CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
The InChIKey is QMRXHPPAOYYKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-5-6-13-27-14-7-12-23-21(25)15-18(4)16-22(26)24-20-10-8-19(9-11-20)17(2)3/h8-11,17-18H,5-7,12-16H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide?
N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide has a molecular weight of 376.54 g/mol, XLogP of 4.49, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide is sourced from PubChem (CID 51362485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).