N-[(2R)-butan-2-yl]-3-methoxypropanamide

C8H17NO2 — CID 53496151

IUPACN-[(2R)-butan-2-yl]-3-methoxypropanamide
SMILESCC[C@@H](C)NC(=O)CCOC
InChIInChI=1S/C8H17NO2/c1-4-7(2)9-8(10)5-6-11-3/h7H,4-6H2,1-3H3,(H,9,10)/t7-/m1/s1
InChIKeyKFNMVBUKYLYROF-SSDOTTSWSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds5

About N-[(2R)-butan-2-yl]-3-methoxypropanamide

N-[(2R)-butan-2-yl]-3-methoxypropanamide (PubChem CID 53496151) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-methoxypropanamide
PubChem CID53496151
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-[(2R)-butan-2-yl]-3-methoxypropanamide
SMILESCC[C@@H](C)NC(=O)CCOC
InChIInChI=1S/C8H17NO2/c1-4-7(2)9-8(10)5-6-11-3/h7H,4-6H2,1-3H3,(H,9,10)/t7-/m1/s1
InChIKeyKFNMVBUKYLYROF-SSDOTTSWSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-methoxypropanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-methoxypropanamide (CID 53496151) is N-[(2R)-butan-2-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-methoxypropanamide is CC[C@@H](C)NC(=O)CCOC.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-methoxypropanamide?
The InChIKey is KFNMVBUKYLYROF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(2)9-8(10)5-6-11-3/h7H,4-6H2,1-3H3,(H,9,10)/t7-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-methoxypropanamide?
N-[(2R)-butan-2-yl]-3-methoxypropanamide has a molecular weight of 159.23 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 53496151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).