N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide

C13H18N2O3 — CID 108540002

IUPACN-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
SMILESCOCC(=O)NCCNC(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-18-10-13(17)15-8-7-14-12(16)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyNBHKWRQGZXBGMX-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.11
Rot. Bonds7

About N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide

N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide (PubChem CID 108540002) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
PubChem CID108540002
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
SMILESCOCC(=O)NCCNC(=O)Cc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-18-10-13(17)15-8-7-14-12(16)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyNBHKWRQGZXBGMX-UHFFFAOYSA-N
XLogP0.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 42852806
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
CID 108542258
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
benzene;molecular hydrogen;2-phenyl-N-propylacetamide
CID 144955399
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
2-methoxy-N-methylacetamide;phenylmethanol
CID 162215011
N-(2-hydroxy-2-phenylethyl)-2-methoxyacetamide
CID 60654245
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide (CID 108540002) is N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide is COCC(=O)NCCNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide?
The InChIKey is NBHKWRQGZXBGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-10-13(17)15-8-7-14-12(16)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide?
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide has a molecular weight of 250.30 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 108540002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).