N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide

C15H24N2O2 — CID 28995316

IUPACN-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCc1cc(N)ccc1NC(=O)CCCOC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11-10-12(16)7-8-13(11)17-14(18)6-5-9-19-15(2,3)4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeySVMDKJPOMZPJQB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.11
Rot. Bonds5

About N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide

N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 28995316) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
PubChem CID28995316
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCc1cc(N)ccc1NC(=O)CCCOC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11-10-12(16)7-8-13(11)17-14(18)6-5-9-19-15(2,3)4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeySVMDKJPOMZPJQB-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(3-aminophenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995330
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(5-amino-2-methylphenyl)-4-ethoxybutanamide
CID 16793832
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(5-amino-2-methylphenyl)-4-(3,3,3-trifluoropropoxy)butanamide
CID 82961312
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide (CID 28995316) is N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide is Cc1cc(N)ccc1NC(=O)CCCOC(C)(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
The InChIKey is SVMDKJPOMZPJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-10-12(16)7-8-13(11)17-14(18)6-5-9-19-15(2,3)4/h7-8,10H,5-6,9,16H2,1-4H3,(H,17,18).
What are the key properties of N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide?
N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 264.37 g/mol, XLogP of 3.11, 5 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)-4-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 28995316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).