2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide

C12H24N2O3 — CID 64605664

IUPAC2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
SMILESCOCCC(C)NCC(=O)NC1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-10(3-6-16-2)13-9-12(15)14-11-4-7-17-8-5-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyBTGJOSQJCUVWCE-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.30
Rot. Bonds7

About 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide

2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide (PubChem CID 64605664) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
PubChem CID64605664
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
SMILESCOCCC(C)NCC(=O)NC1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-10(3-6-16-2)13-9-12(15)14-11-4-7-17-8-5-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyBTGJOSQJCUVWCE-UHFFFAOYSA-N
XLogP0.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 55180342
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815
2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide
CID 106246683
2-(butan-2-ylamino)-N-(oxolan-3-yl)acetamide
CID 80713915
2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 63097642
2-[1-(4-methoxyphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 66244703
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
N-cyclopentyl-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83177425
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
4-hydroxy-N-(oxan-4-yl)pentanamide
CID 79191727
N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291806

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide (CID 64605664) is 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide is COCCC(C)NCC(=O)NC1CCOCC1.
What is the InChIKey of 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide?
The InChIKey is BTGJOSQJCUVWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(3-6-16-2)13-9-12(15)14-11-4-7-17-8-5-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide?
2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide has a molecular weight of 244.33 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 64605664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).