N-ethyl-3,4,4-trimethylpentanamide

C10H21NO — CID 63821019

IUPACN-ethyl-3,4,4-trimethylpentanamide
SMILESCCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-11-9(12)7-8(2)10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyHMCPOCCWCMKPHA-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.19
Rot. Bonds3

About N-ethyl-3,4,4-trimethylpentanamide

N-ethyl-3,4,4-trimethylpentanamide (PubChem CID 63821019) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-ethyl-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-ethyl-3,4,4-trimethylpentanamide
PubChem CID63821019
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-ethyl-3,4,4-trimethylpentanamide
SMILESCCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-11-9(12)7-8(2)10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyHMCPOCCWCMKPHA-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,4-trimethylpentanamide?
The IUPAC name of N-ethyl-3,4,4-trimethylpentanamide (CID 63821019) is N-ethyl-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-ethyl-3,4,4-trimethylpentanamide?
The canonical SMILES for N-ethyl-3,4,4-trimethylpentanamide is CCNC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-ethyl-3,4,4-trimethylpentanamide?
The InChIKey is HMCPOCCWCMKPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-11-9(12)7-8(2)10(3,4)5/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of N-ethyl-3,4,4-trimethylpentanamide?
N-ethyl-3,4,4-trimethylpentanamide has a molecular weight of 171.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63821019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).