N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide

C17H33NO — CID 161023998

IUPACN-cyclohexyl-2,2-dimethyl-N-pentylbutanamide
SMILESCCCCCN(C(=O)C(C)(C)CC)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-5-7-11-14-18(15-12-9-8-10-13-15)16(19)17(3,4)6-2/h15H,5-14H2,1-4H3
InChIKeyPOZZNAHCGIPWQW-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.77
Rot. Bonds7

About N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide

N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide (PubChem CID 161023998) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2-dimethyl-N-pentylbutanamide
PubChem CID161023998
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-cyclohexyl-2,2-dimethyl-N-pentylbutanamide
SMILESCCCCCN(C(=O)C(C)(C)CC)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-5-7-11-14-18(15-12-9-8-10-13-15)16(19)17(3,4)6-2/h15H,5-14H2,1-4H3
InChIKeyPOZZNAHCGIPWQW-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide?
The IUPAC name of N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide (CID 161023998) is N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide.
What is the SMILES notation for N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide?
The canonical SMILES for N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide is CCCCCN(C(=O)C(C)(C)CC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide?
The InChIKey is POZZNAHCGIPWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-7-11-14-18(15-12-9-8-10-13-15)16(19)17(3,4)6-2/h15H,5-14H2,1-4H3.
What are the key properties of N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide?
N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide has a molecular weight of 267.46 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-dimethyl-N-pentylbutanamide is sourced from PubChem (CID 161023998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).