N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide

C15H22N2O4 — CID 63557411

IUPACN-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
SMILESCOc1cc(N)ccc1NC(=O)CCCOC1CCOC1
InChIInChI=1S/C15H22N2O4/c1-19-14-9-11(16)4-5-13(14)17-15(18)3-2-7-21-12-6-8-20-10-12/h4-5,9,12H,2-3,6-8,10,16H2,1H3,(H,17,18)
InChIKeyZDDLXMGRAWUAIA-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.80
Rot. Bonds7

About N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide

N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide (PubChem CID 63557411) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
PubChem CID63557411
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
SMILESCOc1cc(N)ccc1NC(=O)CCCOC1CCOC1
InChIInChI=1S/C15H22N2O4/c1-19-14-9-11(16)4-5-13(14)17-15(18)3-2-7-21-12-6-8-20-10-12/h4-5,9,12H,2-3,6-8,10,16H2,1H3,(H,17,18)
InChIKeyZDDLXMGRAWUAIA-UHFFFAOYSA-N
XLogP1.80
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-3-(oxan-4-yloxy)propanamide
CID 61286331
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63556620
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-ylsulfanyl)propanamide
CID 62996070
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-aminophenyl)-4-(oxan-4-yloxy)butanamide
CID 61289162
N-[3-(aminomethyl)phenyl]-4-(oxolan-3-yloxy)butanamide
CID 63557818
N-(5-amino-2-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556820
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62381831
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557212
N-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982174

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide (CID 63557411) is N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide is COc1cc(N)ccc1NC(=O)CCCOC1CCOC1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide?
The InChIKey is ZDDLXMGRAWUAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-14-9-11(16)4-5-13(14)17-15(18)3-2-7-21-12-6-8-20-10-12/h4-5,9,12H,2-3,6-8,10,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide?
N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide has a molecular weight of 294.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide is sourced from PubChem (CID 63557411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).