cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide

C26H51NO — CID 91046285

IUPACcyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide
SMILESC1CCCC1.CC(CC(C)(C(C)C(C)C)C(C)C(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C21H41NO.C5H10/c1-14(2)17(6)21(8,18(7)15(3)4)13-16(5)20(23)22-19-11-9-10-12-19;1-2-4-5-3-1/h14-19H,9-13H2,1-8H3,(H,22,23);1-5H2
InChIKeyNYYAERNDHBWZCM-UHFFFAOYSA-N
MW393.70 g/mol
LogP7.61
Rot. Bonds8

About cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide

cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide (PubChem CID 91046285) has the molecular formula C26H51NO and a molecular weight of 393.70 g/mol. Its IUPAC name is cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide.

Molecular Properties

Compound Namecyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide
PubChem CID91046285
Molecular FormulaC26H51NO
Molecular Weight393.70 g/mol
Exact Mass393.40
IUPAC Namecyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide
SMILESC1CCCC1.CC(CC(C)(C(C)C(C)C)C(C)C(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C21H41NO.C5H10/c1-14(2)17(6)21(8,18(7)15(3)4)13-16(5)20(23)22-19-11-9-10-12-19;1-2-4-5-3-1/h14-19H,9-13H2,1-8H3,(H,22,23);1-5H2
InChIKeyNYYAERNDHBWZCM-UHFFFAOYSA-N
XLogP7.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide?
The IUPAC name of cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide (CID 91046285) is cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide.
What is the SMILES notation for cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide?
The canonical SMILES for cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide is C1CCCC1.CC(CC(C)(C(C)C(C)C)C(C)C(C)C)C(=O)NC1CCCC1.
What is the InChIKey of cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide?
The InChIKey is NYYAERNDHBWZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO.C5H10/c1-14(2)17(6)21(8,18(7)15(3)4)13-16(5)20(23)22-19-11-9-10-12-19;1-2-4-5-3-1/h14-19H,9-13H2,1-8H3,(H,22,23);1-5H2.
What are the key properties of cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide?
cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide has a molecular weight of 393.70 g/mol, XLogP of 7.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;N-cyclopentyl-2,4,5,6-tetramethyl-4-(3-methylbutan-2-yl)heptanamide is sourced from PubChem (CID 91046285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).