(2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide

C21H21NO4 — CID 51930010

IUPAC(2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO4/c1-16(26-19-12-10-18(24-2)11-13-19)21(23)22(15-20-9-6-14-25-20)17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3/t16-/m0/s1
InChIKeyCGCFTKLLMNXMGL-INIZCTEOSA-N
MW351.40 g/mol
LogP4.29
Rot. Bonds7

About (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide

(2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide (PubChem CID 51930010) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide
PubChem CID51930010
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C21H21NO4/c1-16(26-19-12-10-18(24-2)11-13-19)21(23)22(15-20-9-6-14-25-20)17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3/t16-/m0/s1
InChIKeyCGCFTKLLMNXMGL-INIZCTEOSA-N
XLogP4.29
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-phenylpropanamide
CID 18100568
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-phenoxypropanamide
CID 55889101
N-(furan-2-ylmethyl)-3,5-dimethoxy-N-phenylbenzamide
CID 18100555
2-phenoxy-N-[2-[N-(2-phenoxypropanoyl)anilino]ethyl]-N-phenylpropanamide
CID 4940214
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
N-(furan-2-ylmethyl)-2-(2-methoxyphenoxy)-N-phenylacetamide
CID 18100575
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854946
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 18830852
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
4-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 8608037

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide (CID 51930010) is (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide is COc1ccc(O[C@@H](C)C(=O)N(Cc2ccco2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide?
The InChIKey is CGCFTKLLMNXMGL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21NO4/c1-16(26-19-12-10-18(24-2)11-13-19)21(23)22(15-20-9-6-14-25-20)17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide?
(2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide has a molecular weight of 351.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)-N-phenylpropanamide is sourced from PubChem (CID 51930010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).