3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide

C11H22N2O2 — CID 120504495

IUPAC3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide
SMILESCOCC(NC(=O)C(C)C(C)N)C1CC1
InChIInChI=1S/C11H22N2O2/c1-7(8(2)12)11(14)13-10(6-15-3)9-4-5-9/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyDJVBAAJBJZZMMO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.51
Rot. Bonds6

About 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide

3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide (PubChem CID 120504495) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide
PubChem CID120504495
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide
SMILESCOCC(NC(=O)C(C)C(C)N)C1CC1
InChIInChI=1S/C11H22N2O2/c1-7(8(2)12)11(14)13-10(6-15-3)9-4-5-9/h7-10H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyDJVBAAJBJZZMMO-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-(oxan-4-yl)acetamide
CID 120801790
N-(2-amino-1-cyclopropylethyl)-2,3-dimethylbutanamide
CID 65188578
N-(2-amino-1-cyclopropylethyl)-2-methoxypropanamide
CID 115737526
3-amino-N-(3-cyclohexylbutan-2-yl)-2-methylbutanamide
CID 120501833
2-(1-cyclopropylpropylamino)-3-methoxypropanamide
CID 115929773
(2S)-N-[(1R)-1-cyclopropyl-2-methoxyethyl]-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
CID 97330227
N-(1-cyclopropyl-2-methoxyethyl)-2-(3,5-dichlorophenyl)-2-hydroxyacetamide
CID 75436958
3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122007487
(2S)-N-(2-amino-1-cyclopropylethyl)-2-[(2-methoxyacetyl)amino]-3-methylbutanamide;hydrochloride
CID 119615222
5-[(1-cyclopropyl-2-methoxyethyl)amino]-2-methylpentan-1-ol
CID 103905399
1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
N-[(1S)-1-cyclopentylethyl]-1-cyclopropyl-2-methoxyethanamine
CID 81386494

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide (CID 120504495) is 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide is COCC(NC(=O)C(C)C(C)N)C1CC1.
What is the InChIKey of 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide?
The InChIKey is DJVBAAJBJZZMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(8(2)12)11(14)13-10(6-15-3)9-4-5-9/h7-10H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide?
3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropyl-2-methoxyethyl)-2-methylbutanamide is sourced from PubChem (CID 120504495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).