N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide

C15H20N2O3 — CID 47102238

IUPACN-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)C2CC2)c1
InChIInChI=1S/C15H20N2O3/c1-11-3-2-4-13(9-11)20-10-14(18)16-7-8-17-15(19)12-5-6-12/h2-4,9,12H,5-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyBSDFUVFMJBHBND-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.02
Rot. Bonds7

About N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 47102238) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID47102238
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)C2CC2)c1
InChIInChI=1S/C15H20N2O3/c1-11-3-2-4-13(9-11)20-10-14(18)16-7-8-17-15(19)12-5-6-12/h2-4,9,12H,5-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyBSDFUVFMJBHBND-UHFFFAOYSA-N
XLogP1.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.02
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

N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
N-[4-[3-(3-methylphenoxy)propylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438274
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119620664
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943
N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
N-[3-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55615703
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide (CID 47102238) is N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide is Cc1cccc(OCC(=O)NCCNC(=O)C2CC2)c1.
What is the InChIKey of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is BSDFUVFMJBHBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-3-2-4-13(9-11)20-10-14(18)16-7-8-17-15(19)12-5-6-12/h2-4,9,12H,5-8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 47102238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).