(2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide

C10H21NO — CID 129176373

IUPAC(2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide
SMILESCC(C)[C@H](C)C(=O)N(C)C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)9(5)10(12)11(6)8(3)4/h7-9H,1-6H3/t9-/m0/s1
InChIKeyRSSMGVSCJWTWNT-VIFPVBQESA-N
MW171.28 g/mol
LogP2.15
Rot. Bonds3

About (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide

(2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide (PubChem CID 129176373) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide
PubChem CID129176373
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide
SMILESCC(C)[C@H](C)C(=O)N(C)C(C)C
InChIInChI=1S/C10H21NO/c1-7(2)9(5)10(12)11(6)8(3)4/h7-9H,1-6H3/t9-/m0/s1
InChIKeyRSSMGVSCJWTWNT-VIFPVBQESA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide (CID 129176373) is (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide is CC(C)[C@H](C)C(=O)N(C)C(C)C.
What is the InChIKey of (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide?
The InChIKey is RSSMGVSCJWTWNT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)9(5)10(12)11(6)8(3)4/h7-9H,1-6H3/t9-/m0/s1.
What are the key properties of (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide?
(2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide has a molecular weight of 171.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2,3-trimethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 129176373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).