N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide

C13H18N2O3 — CID 53410709

IUPACN-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)C1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-17-12-8-10(14)2-3-11(12)15-13(16)9-4-6-18-7-5-9/h2-3,8-9H,4-7,14H2,1H3,(H,15,16)
InChIKeyFPAFFRXMKZPFKT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.64
Rot. Bonds3

About N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide

N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide (PubChem CID 53410709) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
PubChem CID53410709
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)C1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-17-12-8-10(14)2-3-11(12)15-13(16)9-4-6-18-7-5-9/h2-3,8-9H,4-7,14H2,1H3,(H,15,16)
InChIKeyFPAFFRXMKZPFKT-UHFFFAOYSA-N
XLogP1.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylsulfanyl)propanamide
CID 62995880
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylmethoxy)acetamide
CID 62381831
N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 62905996
N-(4-amino-2-methoxyphenyl)-3-(oxan-4-ylsulfanyl)propanamide
CID 62996070
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557411
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
N-(4-amino-2-methoxyphenyl)-2-morpholin-4-ylbutanamide
CID 82224744

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide (CID 53410709) is N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide is COc1cc(N)ccc1NC(=O)C1CCOCC1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is FPAFFRXMKZPFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-12-8-10(14)2-3-11(12)15-13(16)9-4-6-18-7-5-9/h2-3,8-9H,4-7,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide?
N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 53410709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).