N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide

C12H23NO2 — CID 94186751

IUPACN-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)CC(C)C
InChIInChI=1S/C12H23NO2/c1-4-13(12(14)7-10(2)3)8-11-5-6-15-9-11/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyUVORNBDTHYZKNL-NSHDSACASA-N
MW213.32 g/mol
LogP1.92
Rot. Bonds5

About N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide

N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide (PubChem CID 94186751) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
PubChem CID94186751
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)CC(C)C
InChIInChI=1S/C12H23NO2/c1-4-13(12(14)7-10(2)3)8-11-5-6-15-9-11/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyUVORNBDTHYZKNL-NSHDSACASA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 51082548
5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285
3-amino-N-ethyl-2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 62668913
2-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569649
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-3-ylmethyl)propanamide
CID 62845627
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)hexanamide
CID 54874277
1-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 81172156

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide?
The IUPAC name of N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide (CID 94186751) is N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide.
What is the SMILES notation for N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide?
The canonical SMILES for N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide is CCN(C[C@@H]1CCOC1)C(=O)CC(C)C.
What is the InChIKey of N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide?
The InChIKey is UVORNBDTHYZKNL-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-13(12(14)7-10(2)3)8-11-5-6-15-9-11/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide?
N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide has a molecular weight of 213.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[[(3S)-oxolan-3-yl]methyl]butanamide is sourced from PubChem (CID 94186751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).