N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide

C22H23NO3 — CID 42943143

IUPACN-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(C)C(C)c3ccccc3)o2)cc1
InChIInChI=1S/C22H23NO3/c1-16-9-11-19(12-10-16)25-15-20-13-14-21(26-20)22(24)23(3)17(2)18-7-5-4-6-8-18/h4-14,17H,15H2,1-3H3
InChIKeyQDYQRGPUBWPBKC-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.00
Rot. Bonds6

About N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide

N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 42943143) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID42943143
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(C)C(C)c3ccccc3)o2)cc1
InChIInChI=1S/C22H23NO3/c1-16-9-11-19(12-10-16)25-15-20-13-14-21(26-20)22(24)23(3)17(2)18-7-5-4-6-8-18/h4-14,17H,15H2,1-3H3
InChIKeyQDYQRGPUBWPBKC-UHFFFAOYSA-N
XLogP5.00
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(benzenesulfonylmethyl)-N-methyl-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 32906703
N-methyl-5-(phenoxymethyl)-N-phenylfuran-2-carboxamide
CID 31529020
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 55578046
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N-(1-aminopropan-2-yl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119583540
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 38008396
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
5-(methoxymethyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 78852151
2-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-methylamino]propanoic acid
CID 119209498

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 42943143) is N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)N(C)C(C)c3ccccc3)o2)cc1.
What is the InChIKey of N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is QDYQRGPUBWPBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-16-9-11-19(12-10-16)25-15-20-13-14-21(26-20)22(24)23(3)17(2)18-7-5-4-6-8-18/h4-14,17H,15H2,1-3H3.
What are the key properties of N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 42943143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).