N-[2-(methylamino)ethyl]-2-phenoxypropanamide

C12H18N2O2 — CID 119503949

IUPACN-[2-(methylamino)ethyl]-2-phenoxypropanamide
SMILESCNCCNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(12(15)14-9-8-13-2)16-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,14,15)
InChIKeyRNOHAVJZUWVZAQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.79
Rot. Bonds6

About N-[2-(methylamino)ethyl]-2-phenoxypropanamide

N-[2-(methylamino)ethyl]-2-phenoxypropanamide (PubChem CID 119503949) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-phenoxypropanamide
PubChem CID119503949
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2-(methylamino)ethyl]-2-phenoxypropanamide
SMILESCNCCNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(12(15)14-9-8-13-2)16-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,14,15)
InChIKeyRNOHAVJZUWVZAQ-UHFFFAOYSA-N
XLogP0.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-[2-(methylamino)ethyl]-2-pyridin-3-yloxypropanamide
CID 119503233
N-ethyl-2-phenoxypropanamide
CID 4282518
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-methyl-2-phenoxypropanamide
CID 4626974
N-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
N-[2-[2-(4-phenylphenoxy)propanoylamino]ethyl]benzamide
CID 46686897
(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
N-[2-(ethylamino)ethyl]-2-(4-phenylphenoxy)propanamide
CID 119509338

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-2-phenoxypropanamide (CID 119503949) is N-[2-(methylamino)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-phenoxypropanamide is CNCCNC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-phenoxypropanamide?
The InChIKey is RNOHAVJZUWVZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(12(15)14-9-8-13-2)16-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(methylamino)ethyl]-2-phenoxypropanamide?
N-[2-(methylamino)ethyl]-2-phenoxypropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 119503949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).