N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide

C22H28N2O4 — CID 175107069

IUPACN'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide
SMILESNC(=O)C(=O)NCCCCc1ccccc1CCCOc1ccccc1CO
InChIInChI=1S/C22H28N2O4/c23-21(26)22(27)24-14-6-5-10-17-8-1-2-9-18(17)12-7-15-28-20-13-4-3-11-19(20)16-25/h1-4,8-9,11,13,25H,5-7,10,12,14-16H2,(H2,23,26)(H,24,27)
InChIKeyJWZJNRYOSONUCS-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.11
Rot. Bonds11

About N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide

N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide (PubChem CID 175107069) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide.

Molecular Properties

Compound NameN'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide
PubChem CID175107069
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide
SMILESNC(=O)C(=O)NCCCCc1ccccc1CCCOc1ccccc1CO
InChIInChI=1S/C22H28N2O4/c23-21(26)22(27)24-14-6-5-10-17-8-1-2-9-18(17)12-7-15-28-20-13-4-3-11-19(20)16-25/h1-4,8-9,11,13,25H,5-7,10,12,14-16H2,(H2,23,26)(H,24,27)
InChIKeyJWZJNRYOSONUCS-UHFFFAOYSA-N
XLogP2.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-14-(2-hydroxyphenoxy)tetradec-6-enyl]oxamide
CID 126483551
4-[2-(hydroxymethyl)phenoxy]-2-(propylamino)butanamide
CID 63652935
ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
CID 55246185
N-[4-[2-[3-(3-hydroxyphenoxy)propyl]phenyl]butyl]-2-(methylamino)prop-2-enamide
CID 145375751
4-(2-ethylphenoxy)butanamide
CID 82040636
(2-octoxyphenyl)methanol
CID 43128604
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
N'-[4-[2-(3-bromopropyl)phenyl]butyl]-N-methyloxamide
CID 126483485
N-(4-aminophenyl)-3-[2-(hydroxymethyl)phenoxy]propanamide
CID 63652209
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548
[2-[2-(2-methylphenoxy)ethoxy]phenyl]methanol
CID 86767907

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide?
The IUPAC name of N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide (CID 175107069) is N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide.
What is the SMILES notation for N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide?
The canonical SMILES for N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide is NC(=O)C(=O)NCCCCc1ccccc1CCCOc1ccccc1CO.
What is the InChIKey of N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide?
The InChIKey is JWZJNRYOSONUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c23-21(26)22(27)24-14-6-5-10-17-8-1-2-9-18(17)12-7-15-28-20-13-4-3-11-19(20)16-25/h1-4,8-9,11,13,25H,5-7,10,12,14-16H2,(H2,23,26)(H,24,27).
What are the key properties of N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide?
N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide has a molecular weight of 384.48 g/mol, XLogP of 2.11, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-[3-[2-(hydroxymethyl)phenoxy]propyl]phenyl]butyl]oxamide is sourced from PubChem (CID 175107069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).