N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide

C19H24N2O3 — CID 54817766

IUPACN-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15(2)20-14-19(22)21-17-10-6-7-11-18(17)24-13-12-23-16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3,(H,21,22)
InChIKeyCAMWRNTXSUNUTQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.08
Rot. Bonds9

About N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide

N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 54817766) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID54817766
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-15(2)20-14-19(22)21-17-10-6-7-11-18(17)24-13-12-23-16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3,(H,21,22)
InChIKeyCAMWRNTXSUNUTQ-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817835
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
2-(propan-2-ylamino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54817694
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
ethyl 3-oxo-3-[2-(2-phenoxyethoxy)anilino]propanoate
CID 17130997
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide (CID 54817766) is N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is CAMWRNTXSUNUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-15(2)20-14-19(22)21-17-10-6-7-11-18(17)24-13-12-23-16-8-4-3-5-9-16/h3-11,15,20H,12-14H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide?
N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54817766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).