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

C12H24N2O2 — CID 64677009

IUPAC3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCCN(CC1CCCO1)C(=O)CC(C)(C)N
InChIInChI=1S/C12H24N2O2/c1-4-14(9-10-6-5-7-16-10)11(15)8-12(2,3)13/h10H,4-9,13H2,1-3H3
InChIKeyOZUPWIDWTJLUIP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds5

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

3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 64677009) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID64677009
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCCN(CC1CCCO1)C(=O)CC(C)(C)N
InChIInChI=1S/C12H24N2O2/c1-4-14(9-10-6-5-7-16-10)11(15)8-12(2,3)13/h10H,4-9,13H2,1-3H3
InChIKeyOZUPWIDWTJLUIP-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933399
6-amino-N-ethyl-4,4-dimethyl-N-(oxolan-2-ylmethyl)hexanamide
CID 65292320
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
2-(1-aminocyclobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 79854728
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
N-ethyl-2-(ethylamino)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 62835569
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569741
N-ethyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931904
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide (CID 64677009) is 3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide is CCN(CC1CCCO1)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is OZUPWIDWTJLUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14(9-10-6-5-7-16-10)11(15)8-12(2,3)13/h10H,4-9,13H2,1-3H3.
What are the key properties of 3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 64677009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).