N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide

C21H34N2O2 — CID 56540899

IUPACN-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C21H34N2O2/c1-5-15-23(16-6-2)20(25)14-10-13-19(24)22-17-21(3,4)18-11-8-7-9-12-18/h7-9,11-12H,5-6,10,13-17H2,1-4H3,(H,22,24)
InChIKeyKOKNDQOQVFMLOX-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.90
Rot. Bonds11

About N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide

N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide (PubChem CID 56540899) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
PubChem CID56540899
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC(C)(C)c1ccccc1
InChIInChI=1S/C21H34N2O2/c1-5-15-23(16-6-2)20(25)14-10-13-19(24)22-17-21(3,4)18-11-8-7-9-12-18/h7-9,11-12H,5-6,10,13-17H2,1-4H3,(H,22,24)
InChIKeyKOKNDQOQVFMLOX-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-2-phenylpropyl)-1,1-dipropylurea
CID 113213255
5-bromo-N-(2-methyl-2-phenylpropyl)pentanamide
CID 107909678
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide
CID 56538874
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
ethyl 3-[(2-methyl-2-phenylpropyl)amino]-3-oxopropanoate
CID 115138677
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56538624
2-(methylamino)-N-(2-methyl-2-phenylpropyl)acetamide
CID 60986486
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546256
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
N-[2-(4-methoxyphenyl)-2-methylpropyl]pentanamide
CID 113090425
(2S)-3-[[5-(dipropylamino)-5-oxopentanoyl]amino]-2-methylpropanoic acid
CID 97234402
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-N',N'-dipropylpentanediamide
CID 56546359

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide (CID 56540899) is N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCC(C)(C)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide?
The InChIKey is KOKNDQOQVFMLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-5-15-23(16-6-2)20(25)14-10-13-19(24)22-17-21(3,4)18-11-8-7-9-12-18/h7-9,11-12H,5-6,10,13-17H2,1-4H3,(H,22,24).
What are the key properties of N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide?
N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide has a molecular weight of 346.52 g/mol, XLogP of 3.90, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56540899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).