N-[(2S)-butan-2-yl]-N-cyclopropylacetamide

C9H17NO — CID 126641378

IUPACN-[(2S)-butan-2-yl]-N-cyclopropylacetamide
SMILESCC[C@H](C)N(C(C)=O)C1CC1
InChIInChI=1S/C9H17NO/c1-4-7(2)10(8(3)11)9-5-6-9/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeySMWOAUJWVMAAHD-ZETCQYMHSA-N
MW155.24 g/mol
LogP1.80
Rot. Bonds3

About N-[(2S)-butan-2-yl]-N-cyclopropylacetamide

N-[(2S)-butan-2-yl]-N-cyclopropylacetamide (PubChem CID 126641378) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-cyclopropylacetamide
PubChem CID126641378
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(2S)-butan-2-yl]-N-cyclopropylacetamide
SMILESCC[C@H](C)N(C(C)=O)C1CC1
InChIInChI=1S/C9H17NO/c1-4-7(2)10(8(3)11)9-5-6-9/h7,9H,4-6H2,1-3H3/t7-/m0/s1
InChIKeySMWOAUJWVMAAHD-ZETCQYMHSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-cyclopropylacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-cyclopropylacetamide (CID 126641378) is N-[(2S)-butan-2-yl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-cyclopropylacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-cyclopropylacetamide is CC[C@H](C)N(C(C)=O)C1CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-cyclopropylacetamide?
The InChIKey is SMWOAUJWVMAAHD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-7(2)10(8(3)11)9-5-6-9/h7,9H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-cyclopropylacetamide?
N-[(2S)-butan-2-yl]-N-cyclopropylacetamide has a molecular weight of 155.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 126641378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).