N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide

C23H25NO3 — CID 18830852

IUPACN-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)N(Cc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C23H25NO3/c1-17-12-18(2)14-22(13-17)27-19(3)23(25)24(16-21-10-7-11-26-21)15-20-8-5-4-6-9-20/h4-14,19H,15-16H2,1-3H3
InChIKeyDGSQPGVYOADKIW-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.89
Rot. Bonds7

About N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide

N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide (PubChem CID 18830852) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
PubChem CID18830852
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC NameN-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)N(Cc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C23H25NO3/c1-17-12-18(2)14-22(13-17)27-19(3)23(25)24(16-21-10-7-11-26-21)15-20-8-5-4-6-9-20/h4-14,19H,15-16H2,1-3H3
InChIKeyDGSQPGVYOADKIW-UHFFFAOYSA-N
XLogP4.89
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N,N-bis(furan-2-ylmethyl)propanamide
CID 40639487
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
(2R)-2-(3,5-dimethylphenoxy)-N,N-diethylpropanamide
CID 9173438
N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide
CID 43888170
1-(furan-2-ylmethyl)-1-[(4-phenoxyphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 67698513
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
(2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide
CID 51930010
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 39834735
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-phenylpropanamide
CID 18100568
N-benzyl-N-(furan-2-ylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605564

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide (CID 18830852) is N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide is Cc1cc(C)cc(OC(C)C(=O)N(Cc2ccccc2)Cc2ccco2)c1.
What is the InChIKey of N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is DGSQPGVYOADKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-17-12-18(2)14-22(13-17)27-19(3)23(25)24(16-21-10-7-11-26-21)15-20-8-5-4-6-9-20/h4-14,19H,15-16H2,1-3H3.
What are the key properties of N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 18830852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).