N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide

C13H28N2O2 — CID 53496150

IUPACN-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)CCOC
InChIInChI=1S/C13H28N2O2/c1-5-15(6-2)10-7-8-12(3)14-13(16)9-11-17-4/h12H,5-11H2,1-4H3,(H,14,16)/t12-/m1/s1
InChIKeyKIONPXDUZZPJOJ-GFCCVEGCSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds10

About N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide

N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide (PubChem CID 53496150) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide
PubChem CID53496150
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)CCOC
InChIInChI=1S/C13H28N2O2/c1-5-15(6-2)10-7-8-12(3)14-13(16)9-11-17-4/h12H,5-11H2,1-4H3,(H,14,16)/t12-/m1/s1
InChIKeyKIONPXDUZZPJOJ-GFCCVEGCSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide?
The IUPAC name of N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide (CID 53496150) is N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide is CCN(CC)CCC[C@@H](C)NC(=O)CCOC.
What is the InChIKey of N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide?
The InChIKey is KIONPXDUZZPJOJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-15(6-2)10-7-8-12(3)14-13(16)9-11-17-4/h12H,5-11H2,1-4H3,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide?
N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide has a molecular weight of 244.38 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-(diethylamino)pentan-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 53496150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).