(2S)-N,N-diethyl-2-methylbutanamide

C9H19NO — CID 158106259

IUPAC(2S)-N,N-diethyl-2-methylbutanamide
SMILESCC[C@H](C)C(=O)N(CC)CC
InChIInChI=1S/C9H19NO/c1-5-8(4)9(11)10(6-2)7-3/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyMXWPBIKTNFTVEU-QMMMGPOBSA-N
MW157.26 g/mol
LogP1.90
Rot. Bonds4

About (2S)-N,N-diethyl-2-methylbutanamide

(2S)-N,N-diethyl-2-methylbutanamide (PubChem CID 158106259) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-methylbutanamide
PubChem CID158106259
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S)-N,N-diethyl-2-methylbutanamide
SMILESCC[C@H](C)C(=O)N(CC)CC
InChIInChI=1S/C9H19NO/c1-5-8(4)9(11)10(6-2)7-3/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyMXWPBIKTNFTVEU-QMMMGPOBSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
N-ethyl-N,2-dimethylbutanamide
CID 89343843
3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide
CID 89427274
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
4-(diethylamino)-N,N-diethyl-2,4-dimethylpentanamide
CID 166717183
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836
N-(2-chloroethyl)-2-methyl-N-propylbutanamide
CID 63393003
[ethyl(2-methylbutanoyl)amino]phosphonic acid
CID 87900288
N,N,2-triethyl-4-methylpentanamide
CID 170847895
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
[4-(diethylamino)-3-methyl-4-oxobutyl] N,N-diethylcarbamate
CID 122517637

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-methylbutanamide?
The IUPAC name of (2S)-N,N-diethyl-2-methylbutanamide (CID 158106259) is (2S)-N,N-diethyl-2-methylbutanamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-methylbutanamide?
The canonical SMILES for (2S)-N,N-diethyl-2-methylbutanamide is CC[C@H](C)C(=O)N(CC)CC.
What is the InChIKey of (2S)-N,N-diethyl-2-methylbutanamide?
The InChIKey is MXWPBIKTNFTVEU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(4)9(11)10(6-2)7-3/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-methylbutanamide?
(2S)-N,N-diethyl-2-methylbutanamide has a molecular weight of 157.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-methylbutanamide is sourced from PubChem (CID 158106259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).