2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide

C14H20N2O2 — CID 106234983

IUPAC2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C14H20N2O2/c15-14(17)10-18-7-6-16-9-11-2-1-3-13(8-11)12-4-5-12/h1-3,8,12,16H,4-7,9-10H2,(H2,15,17)
InChIKeyBHWUCRWCPNNRNE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.16
Rot. Bonds8

About 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide

2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide (PubChem CID 106234983) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide
PubChem CID106234983
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cccc(C2CC2)c1
InChIInChI=1S/C14H20N2O2/c15-14(17)10-18-7-6-16-9-11-2-1-3-13(8-11)12-4-5-12/h1-3,8,12,16H,4-7,9-10H2,(H2,15,17)
InChIKeyBHWUCRWCPNNRNE-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.16
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

2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide
CID 106236424
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
CID 114162017
4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79971547
2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
CID 79979090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide (CID 106234983) is 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide is NC(=O)COCCNCc1cccc(C2CC2)c1.
What is the InChIKey of 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide?
The InChIKey is BHWUCRWCPNNRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(17)10-18-7-6-16-9-11-2-1-3-13(8-11)12-4-5-12/h1-3,8,12,16H,4-7,9-10H2,(H2,15,17).
What are the key properties of 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide?
2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106234983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).