N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide

C23H38N2O2 — CID 143642906

IUPACN-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(CCC)C(=O)NCCCc1ccccc1CCC
InChIInChI=1S/C23H38N2O2/c1-4-7-8-17-22(26)25-21(13-6-3)23(27)24-18-11-16-20-15-10-9-14-19(20)12-5-2/h9-10,14-15,21H,4-8,11-13,16-18H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyUHUCFDVHPPJGGR-UHFFFAOYSA-N
MW374.57 g/mol
LogP4.55
Rot. Bonds14

About N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide

N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide (PubChem CID 143642906) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide.

Molecular Properties

Compound NameN-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide
PubChem CID143642906
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(CCC)C(=O)NCCCc1ccccc1CCC
InChIInChI=1S/C23H38N2O2/c1-4-7-8-17-22(26)25-21(13-6-3)23(27)24-18-11-16-20-15-10-9-14-19(20)12-5-2/h9-10,14-15,21H,4-8,11-13,16-18H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyUHUCFDVHPPJGGR-UHFFFAOYSA-N
XLogP4.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932
2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide
CID 143642916
(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769
(2S)-2-(hexanoylamino)-N,N'-dioctadecylpentanediamide
CID 71380985
(2S)-2-(dodecanoylamino)-N,N'-dioctylpentanediamide
CID 71380986
N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
CID 42701600
2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide
CID 70967784
(4S)-4-(dodecanoylamino)-5-(dodecylamino)-5-oxopentanoic acid
CID 71347197
benzyl N-[(4S)-4-(docosanoylamino)-5-(dodecylamino)-5-oxopentyl]carbamate
CID 135364014
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720
N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
CID 101082096
6-(2-heptylphenyl)-N-(2-hydroxyethyl)hexanamide
CID 101051335

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide?
The IUPAC name of N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide (CID 143642906) is N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide.
What is the SMILES notation for N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide?
The canonical SMILES for N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide is CCCCCC(=O)NC(CCC)C(=O)NCCCc1ccccc1CCC.
What is the InChIKey of N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide?
The InChIKey is UHUCFDVHPPJGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-4-7-8-17-22(26)25-21(13-6-3)23(27)24-18-11-16-20-15-10-9-14-19(20)12-5-2/h9-10,14-15,21H,4-8,11-13,16-18H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide?
N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide has a molecular weight of 374.57 g/mol, XLogP of 4.55, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[3-(2-propylphenyl)propylamino]pentan-2-yl]hexanamide is sourced from PubChem (CID 143642906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).