N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide

C14H20N2O3 — CID 62214928

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide
SMILESNc1ccc(C(O)CNC(=O)C2CCCCO2)cc1
InChIInChI=1S/C14H20N2O3/c15-11-6-4-10(5-7-11)12(17)9-16-14(18)13-3-1-2-8-19-13/h4-7,12-13,17H,1-3,8-9,15H2,(H,16,18)
InChIKeyOTPBTTJAJJFDTN-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.99
Rot. Bonds4

About N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide (PubChem CID 62214928) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide
PubChem CID62214928
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide
SMILESNc1ccc(C(O)CNC(=O)C2CCCCO2)cc1
InChIInChI=1S/C14H20N2O3/c15-11-6-4-10(5-7-11)12(17)9-16-14(18)13-3-1-2-8-19-13/h4-7,12-13,17H,1-3,8-9,15H2,(H,16,18)
InChIKeyOTPBTTJAJJFDTN-UHFFFAOYSA-N
XLogP0.99
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)-2-hydroxyethyl]-1,4-dioxane-2-carboxamide
CID 62798499
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
CID 111112177
N-[2-(furan-2-yl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 110889373
N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide
CID 103822648
(2R)-N-(3,3-difluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103850586
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
N-[(5-amino-2-methoxyphenyl)methyl]oxane-2-carboxamide
CID 55048276
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide (CID 62214928) is N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide is Nc1ccc(C(O)CNC(=O)C2CCCCO2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide?
The InChIKey is OTPBTTJAJJFDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-11-6-4-10(5-7-11)12(17)9-16-14(18)13-3-1-2-8-19-13/h4-7,12-13,17H,1-3,8-9,15H2,(H,16,18).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide is sourced from PubChem (CID 62214928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).