(2S)-N-ethoxy-2-methylpentanamide

C8H17NO2 — CID 90228672

IUPAC(2S)-N-ethoxy-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)NOCC
InChIInChI=1S/C8H17NO2/c1-4-6-7(3)8(10)9-11-5-2/h7H,4-6H2,1-3H3,(H,9,10)/t7-/m0/s1
InChIKeyPJYSQUILNFYPQA-ZETCQYMHSA-N
MW159.23 g/mol
LogP1.49
Rot. Bonds5

About (2S)-N-ethoxy-2-methylpentanamide

(2S)-N-ethoxy-2-methylpentanamide (PubChem CID 90228672) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-N-ethoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-ethoxy-2-methylpentanamide
PubChem CID90228672
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-N-ethoxy-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)NOCC
InChIInChI=1S/C8H17NO2/c1-4-6-7(3)8(10)9-11-5-2/h7H,4-6H2,1-3H3,(H,9,10)/t7-/m0/s1
InChIKeyPJYSQUILNFYPQA-ZETCQYMHSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-propylpentanamide
CID 115532275
2-amino-N-ethoxypentanamide
CID 64974803
N-ethoxy-2-methylpropanamide
CID 60717901
N-ethoxy-3-(ethylamino)-2-methylpropanamide
CID 64974607
2-methylpentanehydrazide
CID 43183484
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
2-methyl-N-propan-2-ylpentanamide
CID 4628268
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
N-(2,2-diethoxyethyl)-2-methylpentanamide
CID 79547187
N-ethoxy-2-methylbut-3-enamide
CID 143446399
2-methylpentanoyl 2,5-dimethylhexanoate
CID 174916837
ethyl 2-(phosphanylamino)pentanoate
CID 59113606

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethoxy-2-methylpentanamide?
The IUPAC name of (2S)-N-ethoxy-2-methylpentanamide (CID 90228672) is (2S)-N-ethoxy-2-methylpentanamide.
What is the SMILES notation for (2S)-N-ethoxy-2-methylpentanamide?
The canonical SMILES for (2S)-N-ethoxy-2-methylpentanamide is CCC[C@H](C)C(=O)NOCC.
What is the InChIKey of (2S)-N-ethoxy-2-methylpentanamide?
The InChIKey is PJYSQUILNFYPQA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6-7(3)8(10)9-11-5-2/h7H,4-6H2,1-3H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (2S)-N-ethoxy-2-methylpentanamide?
(2S)-N-ethoxy-2-methylpentanamide has a molecular weight of 159.23 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethoxy-2-methylpentanamide is sourced from PubChem (CID 90228672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).