N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide

C14H22N2O2 — CID 43127203

IUPACN-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-5-14(3,4)18-10(2)13(17)16-12-9-7-6-8-11(12)15/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyFKWVPWXABBWBSS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.80
Rot. Bonds5

About N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide

N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide (PubChem CID 43127203) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
PubChem CID43127203
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OC(C)C(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-5-14(3,4)18-10(2)13(17)16-12-9-7-6-8-11(12)15/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyFKWVPWXABBWBSS-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide
CID 43127359
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598
N-(2-aminophenyl)-2-[(2-chlorophenyl)methoxy]propanamide
CID 43110228
N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995566
N-(2-aminophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127114
N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
(2S)-N-(2-aminophenyl)-3-methoxy-2-(methylamino)propanamide;chloromethane
CID 90713192
N-(2-aminophenyl)-2-but-3-enoxypropanamide;hydrochloride
CID 119422818
N-(2-aminophenyl)-2-(2-methylbutylsulfanyl)propanamide
CID 107748924
N-(2-aminophenyl)-2-cyclobutyloxypropanamide
CID 62116312

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide (CID 43127203) is N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide is CCC(C)(C)OC(C)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide?
The InChIKey is FKWVPWXABBWBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-14(3,4)18-10(2)13(17)16-12-9-7-6-8-11(12)15/h6-10H,5,15H2,1-4H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide?
N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide is sourced from PubChem (CID 43127203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).