N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide

C15H24N2O2 — CID 54943854

IUPACN-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
SMILESCCC(C)OCCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N2O2/c1-4-12(3)19-9-5-6-15(18)17-14-10-13(16)8-7-11(14)2/h7-8,10,12H,4-6,9,16H2,1-3H3,(H,17,18)
InChIKeyXKEYXJNRKWVISH-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.11
Rot. Bonds7

About N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide

N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide (PubChem CID 54943854) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
PubChem CID54943854
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide
SMILESCCC(C)OCCCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N2O2/c1-4-12(3)19-9-5-6-15(18)17-14-10-13(16)8-7-11(14)2/h7-8,10,12H,4-6,9,16H2,1-3H3,(H,17,18)
InChIKeyXKEYXJNRKWVISH-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.11
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-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 16793907
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(5-amino-2-methylphenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82961312
N-(5-amino-2-methylphenyl)-4-(2-phenylethoxy)butanamide
CID 120569249
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748913

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide (CID 54943854) is N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide is CCC(C)OCCCC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide?
The InChIKey is XKEYXJNRKWVISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-12(3)19-9-5-6-15(18)17-14-10-13(16)8-7-11(14)2/h7-8,10,12H,4-6,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide?
N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide has a molecular weight of 264.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-butan-2-yloxybutanamide is sourced from PubChem (CID 54943854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).