4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide

C14H17N3O3 — CID 115293964

IUPAC4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C14H17N3O3/c15-6-9-20-12-3-1-2-11(10-12)17-13(18)14(16)4-7-19-8-5-14/h1-3,10H,4-5,7-9,16H2,(H,17,18)
InChIKeyYYPHPVHLMBHOSC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.04
Rot. Bonds4

About 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide

4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide (PubChem CID 115293964) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide
PubChem CID115293964
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2(N)CCOCC2)c1
InChIInChI=1S/C14H17N3O3/c15-6-9-20-12-3-1-2-11(10-12)17-13(18)14(16)4-7-19-8-5-14/h1-3,10H,4-5,7-9,16H2,(H,17,18)
InChIKeyYYPHPVHLMBHOSC-UHFFFAOYSA-N
XLogP1.04
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3-methoxyphenyl)oxane-4-carboxamide
CID 115293571
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
CID 115294807
[3-(cyanomethoxy)phenyl]urea
CID 43369607
2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
CID 119224839
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopentane-1-carboxamide
CID 60852261
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
1-amino-N-(3-prop-2-enoxyphenyl)cyclohexane-1-carboxamide
CID 119303127

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide (CID 115293964) is 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide is N#CCOc1cccc(NC(=O)C2(N)CCOCC2)c1.
What is the InChIKey of 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide?
The InChIKey is YYPHPVHLMBHOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-6-9-20-12-3-1-2-11(10-12)17-13(18)14(16)4-7-19-8-5-14/h1-3,10H,4-5,7-9,16H2,(H,17,18).
What are the key properties of 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide?
4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 115293964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).