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

C10H19NO2 — CID 3509797

IUPAC3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C10H19NO2/c1-8(2)6-10(12)11-7-9-4-3-5-13-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyHTBJNCMWSMFQPN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds4

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

3-methyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 3509797) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID3509797
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)CC(=O)NCC1CCCO1
InChIInChI=1S/C10H19NO2/c1-8(2)6-10(12)11-7-9-4-3-5-13-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyHTBJNCMWSMFQPN-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-methyl-4-oxo-4-[[(2S)-oxolan-2-yl]methylamino]butanoate
CID 97019343
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
3-(ethylamino)-N-(oxan-2-ylmethyl)butanamide
CID 62832746
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)butanamide (CID 3509797) is 3-methyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)butanamide is CC(C)CC(=O)NCC1CCCO1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is HTBJNCMWSMFQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)6-10(12)11-7-9-4-3-5-13-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)butanamide?
3-methyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 185.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 3509797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).