N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

C15H17IN2O2 — CID 9102980

IUPACN-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(I)cc2)o1
InChIInChI=1S/C15H17IN2O2/c1-11-3-8-14(20-11)9-18(2)10-15(19)17-13-6-4-12(16)5-7-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyAUSFMOQIMBPNPO-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.26
Rot. Bonds5

About N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (PubChem CID 9102980) has the molecular formula C15H17IN2O2 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
PubChem CID9102980
Molecular FormulaC15H17IN2O2
Molecular Weight384.22 g/mol
Exact Mass384.03
IUPAC NameN-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccc(I)cc2)o1
InChIInChI=1S/C15H17IN2O2/c1-11-3-8-14(20-11)9-18(2)10-15(19)17-13-6-4-12(16)5-7-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyAUSFMOQIMBPNPO-UHFFFAOYSA-N
XLogP3.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9103147
N-(3-bromo-4-methylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102591
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9101861
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8712033
3-[[2-(4-iodoanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911438
N-(2,6-dimethylphenyl)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]amino]acetamide
CID 9102594
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8756770
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
3-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]butan-2-one
CID 79396289
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102498

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (CID 9102980) is N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)Nc2ccc(I)cc2)o1.
What is the InChIKey of N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The InChIKey is AUSFMOQIMBPNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2/c1-11-3-8-14(20-11)9-18(2)10-15(19)17-13-6-4-12(16)5-7-13/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide has a molecular weight of 384.22 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9102980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).