N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide

C14H22N2O2 — CID 28995566

IUPACN-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OCCC(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-4-14(2,3)18-10-9-13(17)16-12-8-6-5-7-11(12)15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyODCQNWIYXSWXII-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.80
Rot. Bonds6

About N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide

N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide (PubChem CID 28995566) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
PubChem CID28995566
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OCCC(=O)Nc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-4-14(2,3)18-10-9-13(17)16-12-8-6-5-7-11(12)15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17)
InChIKeyODCQNWIYXSWXII-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-amino-4-chlorophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995562
N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995516
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274
N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
CID 43364213
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
CID 43127203
N-(2-aminophenyl)octadecanamide
CID 68839220
benzene-1,2-diamine;tert-butyl N-[3-(2-aminoanilino)-3-oxopropyl]carbamate
CID 162109745
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide (CID 28995566) is N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide is CCC(C)(C)OCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide?
The InChIKey is ODCQNWIYXSWXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(2,3)18-10-9-13(17)16-12-8-6-5-7-11(12)15/h5-8H,4,9-10,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide?
N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide is sourced from PubChem (CID 28995566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).