2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide

C13H27NO — CID 167387123

IUPAC2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide
SMILESCC(C)CC(CNC(=O)C(C)C)C(C)C
InChIInChI=1S/C13H27NO/c1-9(2)7-12(10(3)4)8-14-13(15)11(5)6/h9-12H,7-8H2,1-6H3,(H,14,15)
InChIKeyXFLFXHGNUBNQGA-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.08
Rot. Bonds6

About 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide

2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide (PubChem CID 167387123) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide
PubChem CID167387123
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide
SMILESCC(C)CC(CNC(=O)C(C)C)C(C)C
InChIInChI=1S/C13H27NO/c1-9(2)7-12(10(3)4)8-14-13(15)11(5)6/h9-12H,7-8H2,1-6H3,(H,14,15)
InChIKeyXFLFXHGNUBNQGA-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
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CID 65492879
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677
2-methyl-N-(2-methylpropyl)propanamide;molecular hydrogen;oxolane
CID 169251481
N-(aminomethyl)-2-methylpropanamide
CID 88582106
N-(4-chloro-2-methylbutyl)-2-methylpropanamide
CID 114306119
2-methyl-N-[2-(2-methylheptan-4-ylamino)ethyl]propanamide
CID 123348452
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
N-(2-chloroethyl)-2-methylpropanamide
CID 21034170
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide?
The IUPAC name of 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide (CID 167387123) is 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide is CC(C)CC(CNC(=O)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide?
The InChIKey is XFLFXHGNUBNQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-9(2)7-12(10(3)4)8-14-13(15)11(5)6/h9-12H,7-8H2,1-6H3,(H,14,15).
What are the key properties of 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide?
2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide has a molecular weight of 213.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-propan-2-ylpentyl)propanamide is sourced from PubChem (CID 167387123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).