2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide

C13H24N2O3 — CID 120801790

IUPAC2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
SMILESCOCC(NC(=O)C(N)C1CCOCC1)C1CC1
InChIInChI=1S/C13H24N2O3/c1-17-8-11(9-2-3-9)15-13(16)12(14)10-4-6-18-7-5-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyPWTBUULHSMKAHD-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.28
Rot. Bonds6

About 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide

2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide (PubChem CID 120801790) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
PubChem CID120801790
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
SMILESCOCC(NC(=O)C(N)C1CCOCC1)C1CC1
InChIInChI=1S/C13H24N2O3/c1-17-8-11(9-2-3-9)15-13(16)12(14)10-4-6-18-7-5-10/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyPWTBUULHSMKAHD-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide
CID 120504495
2-amino-N-(3-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790079
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855
2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278
2-amino-N-(3-methylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783425
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799495
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792135
2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
N-(1-cyclopropyl-2-methoxyethyl)-1,4-oxazepane-4-carboxamide
CID 154751009

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide (CID 120801790) is 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide is COCC(NC(=O)C(N)C1CCOCC1)C1CC1.
What is the InChIKey of 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide?
The InChIKey is PWTBUULHSMKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-17-8-11(9-2-3-9)15-13(16)12(14)10-4-6-18-7-5-10/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120801790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).