4-amino-N-phenylmethoxyoxane-4-carboxamide

C13H18N2O3 — CID 115295026

IUPAC4-amino-N-phenylmethoxyoxane-4-carboxamide
SMILESNC1(C(=O)NOCc2ccccc2)CCOCC1
InChIInChI=1S/C13H18N2O3/c14-13(6-8-17-9-7-13)12(16)15-18-10-11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,15,16)
InChIKeyBYXHZAAQTXMOIK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.74
Rot. Bonds4

About 4-amino-N-phenylmethoxyoxane-4-carboxamide

4-amino-N-phenylmethoxyoxane-4-carboxamide (PubChem CID 115295026) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-amino-N-phenylmethoxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-phenylmethoxyoxane-4-carboxamide
PubChem CID115295026
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-amino-N-phenylmethoxyoxane-4-carboxamide
SMILESNC1(C(=O)NOCc2ccccc2)CCOCC1
InChIInChI=1S/C13H18N2O3/c14-13(6-8-17-9-7-13)12(16)15-18-10-11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,15,16)
InChIKeyBYXHZAAQTXMOIK-UHFFFAOYSA-N
XLogP0.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-phenylmethoxycyclopentane-1-carboxamide
CID 21491908
1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide
CID 115453414
2-[(4-aminooxane-4-carbonyl)amino]-3-phenylpropanoic acid
CID 115294488
4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide
CID 115556919
1-(4-aminooxan-4-yl)-4-phenylbutan-1-one
CID 116604543
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225
4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
2-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294978
(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
CID 115292702

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-phenylmethoxyoxane-4-carboxamide?
The IUPAC name of 4-amino-N-phenylmethoxyoxane-4-carboxamide (CID 115295026) is 4-amino-N-phenylmethoxyoxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-phenylmethoxyoxane-4-carboxamide?
The canonical SMILES for 4-amino-N-phenylmethoxyoxane-4-carboxamide is NC1(C(=O)NOCc2ccccc2)CCOCC1.
What is the InChIKey of 4-amino-N-phenylmethoxyoxane-4-carboxamide?
The InChIKey is BYXHZAAQTXMOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(6-8-17-9-7-13)12(16)15-18-10-11-4-2-1-3-5-11/h1-5H,6-10,14H2,(H,15,16).
What are the key properties of 4-amino-N-phenylmethoxyoxane-4-carboxamide?
4-amino-N-phenylmethoxyoxane-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-phenylmethoxyoxane-4-carboxamide is sourced from PubChem (CID 115295026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).