3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide

C14H22N2O2 — CID 55001467

IUPAC3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
SMILESCCC(C)N(CCOC)C(=O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-11(2)16(8-9-18-3)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9,15H2,1-3H3
InChIKeyXXSOQYICISBMFE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds6

About 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide

3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide (PubChem CID 55001467) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
PubChem CID55001467
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
SMILESCCC(C)N(CCOC)C(=O)c1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-4-11(2)16(8-9-18-3)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9,15H2,1-3H3
InChIKeyXXSOQYICISBMFE-UHFFFAOYSA-N
XLogP2.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea
CID 55000887
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
2-amino-N-butan-2-yl-6-chloro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62186979
N-butan-2-yl-N-(2-methoxyethyl)-1H-indole-5-carboxamide
CID 63770200
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729862
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001222
6-bromo-N-butan-2-yl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889770
N-butan-2-yl-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62249354
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide
CID 103814251
2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947951

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide (CID 55001467) is 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide is CCC(C)N(CCOC)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
The InChIKey is XXSOQYICISBMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(2)16(8-9-18-3)14(17)12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9,15H2,1-3H3.
What are the key properties of 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide?
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 55001467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).