N-(4-amino-2-methylphenyl)-3-hexoxypropanamide

C16H26N2O2 — CID 43127219

IUPACN-(4-amino-2-methylphenyl)-3-hexoxypropanamide
SMILESCCCCCCOCCC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-10-20-11-9-16(19)18-15-8-7-14(17)12-13(15)2/h7-8,12H,3-6,9-11,17H2,1-2H3,(H,18,19)
InChIKeyUBVNHNNTVPXOBP-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.50
Rot. Bonds9

About N-(4-amino-2-methylphenyl)-3-hexoxypropanamide

N-(4-amino-2-methylphenyl)-3-hexoxypropanamide (PubChem CID 43127219) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-hexoxypropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-hexoxypropanamide
PubChem CID43127219
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(4-amino-2-methylphenyl)-3-hexoxypropanamide
SMILESCCCCCCOCCC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-10-20-11-9-16(19)18-15-8-7-14(17)12-13(15)2/h7-8,12H,3-6,9-11,17H2,1-2H3,(H,18,19)
InChIKeyUBVNHNNTVPXOBP-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N-(4-amino-2-methylphenyl)-2-heptoxypropanamide
CID 43127072
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995316
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-hexoxypropanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-hexoxypropanamide (CID 43127219) is N-(4-amino-2-methylphenyl)-3-hexoxypropanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-hexoxypropanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-hexoxypropanamide is CCCCCCOCCC(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-hexoxypropanamide?
The InChIKey is UBVNHNNTVPXOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-5-6-10-20-11-9-16(19)18-15-8-7-14(17)12-13(15)2/h7-8,12H,3-6,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-3-hexoxypropanamide?
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide has a molecular weight of 278.40 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-hexoxypropanamide is sourced from PubChem (CID 43127219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).