N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide

C13H20N2O2 — CID 154248035

IUPACN-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide
SMILESCC(=O)NC(OCCN(C)C)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(16)14-13(17-10-9-15(2)3)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H,14,16)
InChIKeyGWFFIQZHAOUGOG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide

N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide (PubChem CID 154248035) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide
PubChem CID154248035
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide
SMILESCC(=O)NC(OCCN(C)C)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(16)14-13(17-10-9-15(2)3)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H,14,16)
InChIKeyGWFFIQZHAOUGOG-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
(Z)-but-2-enedioic acid;2-(dimethylamino)ethyl 2-anilino-2-phenylacetate
CID 13004541
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365
ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate
CID 7315555
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
CID 4601
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide (CID 154248035) is N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide is CC(=O)NC(OCCN(C)C)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide?
The InChIKey is GWFFIQZHAOUGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(16)14-13(17-10-9-15(2)3)12-7-5-4-6-8-12/h4-8,13H,9-10H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide?
N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethoxy-phenylmethyl]acetamide is sourced from PubChem (CID 154248035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).