2-methyl-N-(oxolan-3-ylmethyl)propanamide

C9H17NO2 — CID 60757135

IUPAC2-methyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCC(C)C(=O)NCC1CCOC1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)10-5-8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyNFBDYLKKJHVVER-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.80
Rot. Bonds3

About 2-methyl-N-(oxolan-3-ylmethyl)propanamide

2-methyl-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 60757135) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-3-ylmethyl)propanamide
PubChem CID60757135
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCC(C)C(=O)NCC1CCOC1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)10-5-8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyNFBDYLKKJHVVER-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
2-cyano-N-(oxolan-3-ylmethyl)propanamide
CID 62825407
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018
2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
CID 103515423
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 109382398
4-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 81075819
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
CID 62824224
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(oxolan-3-ylmethyl)propanamide (CID 60757135) is 2-methyl-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(oxolan-3-ylmethyl)propanamide is CC(C)C(=O)NCC1CCOC1.
What is the InChIKey of 2-methyl-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is NFBDYLKKJHVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(11)10-5-8-3-4-12-6-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-N-(oxolan-3-ylmethyl)propanamide?
2-methyl-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 171.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 60757135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).