2-ethyl-2-pentylheptanamide

C14H29NO — CID 87709137

IUPAC2-ethyl-2-pentylheptanamide
SMILESCCCCCC(CC)(CCCCC)C(N)=O
InChIInChI=1S/C14H29NO/c1-4-7-9-11-14(6-3,13(15)16)12-10-8-5-2/h4-12H2,1-3H3,(H2,15,16)
InChIKeyITDUABVFTBPZQV-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.03
Rot. Bonds10

About 2-ethyl-2-pentylheptanamide

2-ethyl-2-pentylheptanamide (PubChem CID 87709137) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-ethyl-2-pentylheptanamide.

Molecular Properties

Compound Name2-ethyl-2-pentylheptanamide
PubChem CID87709137
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-ethyl-2-pentylheptanamide
SMILESCCCCCC(CC)(CCCCC)C(N)=O
InChIInChI=1S/C14H29NO/c1-4-7-9-11-14(6-3,13(15)16)12-10-8-5-2/h4-12H2,1-3H3,(H2,15,16)
InChIKeyITDUABVFTBPZQV-UHFFFAOYSA-N
XLogP4.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-icosyl-2-pentyldocosanamide
CID 175538156
2-ethyl-2-propylpentanamide
CID 10352144
6-amino-2,2-diethylhexanamide
CID 141127196
2,2-diethylnonadecanoic acid
CID 139750929
2,2-diethyltridecanoic acid
CID 138578067
2-butyl-2-ethylnonanoic acid
CID 57042574
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
2,2-diethyl-N-hydroxypentadecanamide
CID 138558527
2,2-diethyl-N-methylhexadecanamide
CID 158971138
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-dodecyl-2-octyltetradecanoic acid
CID 24889792

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-pentylheptanamide?
The IUPAC name of 2-ethyl-2-pentylheptanamide (CID 87709137) is 2-ethyl-2-pentylheptanamide.
What is the SMILES notation for 2-ethyl-2-pentylheptanamide?
The canonical SMILES for 2-ethyl-2-pentylheptanamide is CCCCCC(CC)(CCCCC)C(N)=O.
What is the InChIKey of 2-ethyl-2-pentylheptanamide?
The InChIKey is ITDUABVFTBPZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-9-11-14(6-3,13(15)16)12-10-8-5-2/h4-12H2,1-3H3,(H2,15,16).
What are the key properties of 2-ethyl-2-pentylheptanamide?
2-ethyl-2-pentylheptanamide has a molecular weight of 227.39 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-pentylheptanamide is sourced from PubChem (CID 87709137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).