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

C10H19NO — CID 126638633

IUPACN-[(2S)-butan-2-yl]-N-cyclopropylpropanamide
SMILESCCC(=O)N(C1CC1)[C@@H](C)CC
InChIInChI=1S/C10H19NO/c1-4-8(3)11(9-6-7-9)10(12)5-2/h8-9H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyBTZYSIXMRYWNAQ-QMMMGPOBSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds4

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

N-[(2S)-butan-2-yl]-N-cyclopropylpropanamide (PubChem CID 126638633) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-cyclopropylpropanamide
PubChem CID126638633
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(2S)-butan-2-yl]-N-cyclopropylpropanamide
SMILESCCC(=O)N(C1CC1)[C@@H](C)CC
InChIInChI=1S/C10H19NO/c1-4-8(3)11(9-6-7-9)10(12)5-2/h8-9H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyBTZYSIXMRYWNAQ-QMMMGPOBSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
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-cyclopropylpropanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-cyclopropylpropanamide (CID 126638633) is N-[(2S)-butan-2-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-cyclopropylpropanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-cyclopropylpropanamide is CCC(=O)N(C1CC1)[C@@H](C)CC.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-cyclopropylpropanamide?
The InChIKey is BTZYSIXMRYWNAQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(3)11(9-6-7-9)10(12)5-2/h8-9H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-cyclopropylpropanamide?
N-[(2S)-butan-2-yl]-N-cyclopropylpropanamide has a molecular weight of 169.27 g/mol, XLogP of 2.19, 4 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-cyclopropylpropanamide is sourced from PubChem (CID 126638633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).