(2R,5R)-N,2-diethyl-5,6-dimethylheptanamide

C13H27NO — CID 155244293

IUPAC(2R,5R)-N,2-diethyl-5,6-dimethylheptanamide
SMILESCCNC(=O)C(CC)CC[C@@H](C)C(C)C
InChIInChI=1S/C13H27NO/c1-6-12(13(15)14-7-2)9-8-11(5)10(3)4/h10-12H,6-9H2,1-5H3,(H,14,15)/t11-,12?/m1/s1
InChIKeyBBOLGUNQLDRFLV-JHJMLUEUSA-N
MW213.36 g/mol
LogP3.22
Rot. Bonds7

About (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide

(2R,5R)-N,2-diethyl-5,6-dimethylheptanamide (PubChem CID 155244293) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide.

Molecular Properties

Compound Name(2R,5R)-N,2-diethyl-5,6-dimethylheptanamide
PubChem CID155244293
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2R,5R)-N,2-diethyl-5,6-dimethylheptanamide
SMILESCCNC(=O)C(CC)CC[C@@H](C)C(C)C
InChIInChI=1S/C13H27NO/c1-6-12(13(15)14-7-2)9-8-11(5)10(3)4/h10-12H,6-9H2,1-5H3,(H,14,15)/t11-,12?/m1/s1
InChIKeyBBOLGUNQLDRFLV-JHJMLUEUSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide?
The IUPAC name of (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide (CID 155244293) is (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide.
What is the SMILES notation for (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide?
The canonical SMILES for (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide is CCNC(=O)C(CC)CC[C@@H](C)C(C)C.
What is the InChIKey of (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide?
The InChIKey is BBOLGUNQLDRFLV-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-12(13(15)14-7-2)9-8-11(5)10(3)4/h10-12H,6-9H2,1-5H3,(H,14,15)/t11-,12?/m1/s1.
What are the key properties of (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide?
(2R,5R)-N,2-diethyl-5,6-dimethylheptanamide has a molecular weight of 213.36 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N,2-diethyl-5,6-dimethylheptanamide is sourced from PubChem (CID 155244293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).