N-tert-butyl-2-(cyclopentylmethyl)hexanamide

C16H31NO — CID 20790221

IUPACN-tert-butyl-2-(cyclopentylmethyl)hexanamide
SMILESCCCCC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4/h13-14H,5-12H2,1-4H3,(H,17,18)
InChIKeyBNXNTSIBBXSSIZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.29
Rot. Bonds6

About N-tert-butyl-2-(cyclopentylmethyl)hexanamide

N-tert-butyl-2-(cyclopentylmethyl)hexanamide (PubChem CID 20790221) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethyl)hexanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethyl)hexanamide
PubChem CID20790221
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-tert-butyl-2-(cyclopentylmethyl)hexanamide
SMILESCCCCC(CC1CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H31NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4/h13-14H,5-12H2,1-4H3,(H,17,18)
InChIKeyBNXNTSIBBXSSIZ-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)hexanamide?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)hexanamide (CID 20790221) is N-tert-butyl-2-(cyclopentylmethyl)hexanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethyl)hexanamide?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethyl)hexanamide is CCCCC(CC1CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethyl)hexanamide?
The InChIKey is BNXNTSIBBXSSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-6-11-14(12-13-9-7-8-10-13)15(18)17-16(2,3)4/h13-14H,5-12H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(cyclopentylmethyl)hexanamide?
N-tert-butyl-2-(cyclopentylmethyl)hexanamide has a molecular weight of 253.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopentylmethyl)hexanamide is sourced from PubChem (CID 20790221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).