2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide

C13H27NO — CID 177340655

IUPAC2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide
SMILESCCC(CC[C@H](C)CC)NC(=O)C(C)C
InChIInChI=1S/C13H27NO/c1-6-11(5)8-9-12(7-2)14-13(15)10(3)4/h10-12H,6-9H2,1-5H3,(H,14,15)/t11-,12?/m1/s1
InChIKeyYAUOOCSHEDKKAM-JHJMLUEUSA-N
MW213.36 g/mol
LogP3.36
Rot. Bonds7

About 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide

2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide (PubChem CID 177340655) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide
PubChem CID177340655
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide
SMILESCCC(CC[C@H](C)CC)NC(=O)C(C)C
InChIInChI=1S/C13H27NO/c1-6-11(5)8-9-12(7-2)14-13(15)10(3)4/h10-12H,6-9H2,1-5H3,(H,14,15)/t11-,12?/m1/s1
InChIKeyYAUOOCSHEDKKAM-JHJMLUEUSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-cyano-N-(1-hydroxypentan-3-yl)propanamide
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N-[6-(dimethylamino)heptan-3-yl]propanamide
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2-(ethoxyamino)-N-pentan-3-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide (CID 177340655) is 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide is CCC(CC[C@H](C)CC)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide?
The InChIKey is YAUOOCSHEDKKAM-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-11(5)8-9-12(7-2)14-13(15)10(3)4/h10-12H,6-9H2,1-5H3,(H,14,15)/t11-,12?/m1/s1.
What are the key properties of 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide?
2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide has a molecular weight of 213.36 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6R)-6-methyloctan-3-yl]propanamide is sourced from PubChem (CID 177340655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).