N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide

C16H18N2O3 — CID 63652209

IUPACN-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide
SMILESNc1ccc(NC(=O)CCOc2ccccc2CO)cc1
InChIInChI=1S/C16H18N2O3/c17-13-5-7-14(8-6-13)18-16(20)9-10-21-15-4-2-1-3-12(15)11-19/h1-8,19H,9-11,17H2,(H,18,20)
InChIKeyKCWRIQWISOMHTL-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.17
Rot. Bonds6

About N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide

N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide (PubChem CID 63652209) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide
PubChem CID63652209
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide
SMILESNc1ccc(NC(=O)CCOc2ccccc2CO)cc1
InChIInChI=1S/C16H18N2O3/c17-13-5-7-14(8-6-13)18-16(20)9-10-21-15-4-2-1-3-12(15)11-19/h1-8,19H,9-11,17H2,(H,18,20)
InChIKeyKCWRIQWISOMHTL-UHFFFAOYSA-N
XLogP2.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
CID 61091327
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
CID 43364213
3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
CID 61094942
2-[2-(hydroxymethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 86992188
2-(3-anilino-3-oxopropoxy)benzoic acid
CID 43310235
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
CID 28995698
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide (CID 63652209) is N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide is Nc1ccc(NC(=O)CCOc2ccccc2CO)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is KCWRIQWISOMHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-13-5-7-14(8-6-13)18-16(20)9-10-21-15-4-2-1-3-12(15)11-19/h1-8,19H,9-11,17H2,(H,18,20).
What are the key properties of N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide?
N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 286.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 63652209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).