N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide

C26H43NO2 — CID 167068116

IUPACN-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide
SMILESCC(C)(CCC(=O)NCCC1CCCCCC1)OCCC(C)(C)c1ccccc1
InChIInChI=1S/C26H43NO2/c1-25(2,23-14-10-7-11-15-23)19-21-29-26(3,4)18-16-24(28)27-20-17-22-12-8-5-6-9-13-22/h7,10-11,14-15,22H,5-6,8-9,12-13,16-21H2,1-4H3,(H,27,28)
InChIKeyUKEHMNADWDXHLP-UHFFFAOYSA-N
MW401.64 g/mol
LogP6.41
Rot. Bonds11

About N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide

N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide (PubChem CID 167068116) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide.

Molecular Properties

Compound NameN-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide
PubChem CID167068116
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC NameN-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide
SMILESCC(C)(CCC(=O)NCCC1CCCCCC1)OCCC(C)(C)c1ccccc1
InChIInChI=1S/C26H43NO2/c1-25(2,23-14-10-7-11-15-23)19-21-29-26(3,4)18-16-24(28)27-20-17-22-12-8-5-6-9-13-22/h7,10-11,14-15,22H,5-6,8-9,12-13,16-21H2,1-4H3,(H,27,28)
InChIKeyUKEHMNADWDXHLP-UHFFFAOYSA-N
XLogP6.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide
CID 110354804
N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
CID 109379708
N-(2-cyclohexylethyl)-2-[(R)-phenylsulfinyl]acetamide
CID 97228059
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
CID 50875549
2-phenylethyl N-(2-cycloheptylethyl)carbamate
CID 54473124
3-[(2-cyclohexylacetyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120700962
N-[3-[3-[3-(cyclooctylamino)-3-oxopropoxy]-3-methylbutoxy]-3-methylbutyl]carbamoyl fluoride
CID 134387390
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide?
The IUPAC name of N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide (CID 167068116) is N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide.
What is the SMILES notation for N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide?
The canonical SMILES for N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide is CC(C)(CCC(=O)NCCC1CCCCCC1)OCCC(C)(C)c1ccccc1.
What is the InChIKey of N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide?
The InChIKey is UKEHMNADWDXHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO2/c1-25(2,23-14-10-7-11-15-23)19-21-29-26(3,4)18-16-24(28)27-20-17-22-12-8-5-6-9-13-22/h7,10-11,14-15,22H,5-6,8-9,12-13,16-21H2,1-4H3,(H,27,28).
What are the key properties of N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide?
N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide has a molecular weight of 401.64 g/mol, XLogP of 6.41, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptylethyl)-4-methyl-4-(3-methyl-3-phenylbutoxy)pentanamide is sourced from PubChem (CID 167068116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).