N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide

C14H28N2O — CID 95971082

IUPACN-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide
SMILESCC[C@H]1C[C@H](C)CN1CCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-6-12-9-11(2)10-16(12)8-7-13(17)15-14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyZVVZCTWQPFCRHR-RYUDHWBXSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds4

About N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide

N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide (PubChem CID 95971082) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide
PubChem CID95971082
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide
SMILESCC[C@H]1C[C@H](C)CN1CCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-6-12-9-11(2)10-16(12)8-7-13(17)15-14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyZVVZCTWQPFCRHR-RYUDHWBXSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide (CID 95971082) is N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide is CC[C@H]1C[C@H](C)CN1CCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide?
The InChIKey is ZVVZCTWQPFCRHR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-12-9-11(2)10-16(12)8-7-13(17)15-14(3,4)5/h11-12H,6-10H2,1-5H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide?
N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2S,4S)-2-ethyl-4-methylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95971082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).