N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide

C14H20N2O3 — CID 134050472

IUPACN-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
SMILESCN(C)CCCNC(=O)COc1ccccc1C=O
InChIInChI=1S/C14H20N2O3/c1-16(2)9-5-8-15-14(18)11-19-13-7-4-3-6-12(13)10-17/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,15,18)
InChIKeyJFKMITXYHHWXMN-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.95
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide

N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide (PubChem CID 134050472) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
PubChem CID134050472
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
SMILESCN(C)CCCNC(=O)COc1ccccc1C=O
InChIInChI=1S/C14H20N2O3/c1-16(2)9-5-8-15-14(18)11-19-13-7-4-3-6-12(13)10-17/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,15,18)
InChIKeyJFKMITXYHHWXMN-UHFFFAOYSA-N
XLogP0.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formylphenoxy)-N-[4-[4-[[2-(2-formylphenoxy)acetyl]amino]-3,3-dimethylbutoxy]-4-methylpentyl]acetamide
CID 134595406
2-[5-(dimethylamino)pentoxy]benzaldehyde
CID 21404637
N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide
CID 153330138
2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7762724
methyl 2-(2-formylphenoxy)acetate
CID 5151625
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160
N-[2-(dimethylamino)ethyl]-2-(2-trimethylsilylphenoxy)acetamide
CID 14468375
2-(2-formylphenoxy)-N-(2-phenylbutyl)acetamide
CID 78801691
2-(2-formylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7762764
2-(2,3-dimethoxyphenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 112978344
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2268369
N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide
CID 4733113

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide (CID 134050472) is N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide is CN(C)CCCNC(=O)COc1ccccc1C=O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide?
The InChIKey is JFKMITXYHHWXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)9-5-8-15-14(18)11-19-13-7-4-3-6-12(13)10-17/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide?
N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide has a molecular weight of 264.32 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 134050472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).