2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide

C21H22N2O4 — CID 54818844

IUPAC2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNCc1ccco1)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c24-21(16-22-15-20-7-4-12-25-20)23-17-8-10-19(11-9-17)27-14-13-26-18-5-2-1-3-6-18/h1-12,22H,13-16H2,(H,23,24)
InChIKeyPTBJKVZGUDGOPR-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.47
Rot. Bonds10

About 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide

2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide (PubChem CID 54818844) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
PubChem CID54818844
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
SMILESO=C(CNCc1ccco1)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c24-21(16-22-15-20-7-4-12-25-20)23-17-8-10-19(11-9-17)27-14-13-26-18-5-2-1-3-6-18/h1-12,22H,13-16H2,(H,23,24)
InChIKeyPTBJKVZGUDGOPR-UHFFFAOYSA-N
XLogP3.47
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(furan-2-ylmethylamino)-N-(4-heptoxyphenyl)acetamide
CID 54818809
2-(furan-2-ylmethylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54818572
N-[4-(dimethylamino)phenyl]-2-(furan-2-ylmethylamino)acetamide
CID 54773447
N-[4-[[2-(furan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54818705
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
2-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 1133386
N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide
CID 108945159
2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54818949
4-[[2-(furan-2-ylmethylamino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54818743
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132
3-(furan-2-yl)-N-[4-(2-hydroxyethoxy)phenyl]propanamide
CID 111116197

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide (CID 54818844) is 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide is O=C(CNCc1ccco1)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
The InChIKey is PTBJKVZGUDGOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-21(16-22-15-20-7-4-12-25-20)23-17-8-10-19(11-9-17)27-14-13-26-18-5-2-1-3-6-18/h1-12,22H,13-16H2,(H,23,24).
What are the key properties of 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide?
2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 54818844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).