methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate

C24H25NO4 — CID 18663480

IUPACmethyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate
SMILESCOC(=O)[C@@](C)(c1ccc(-c2ccco2)cc1)N(C)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C24H25NO4/c1-16-13-17(2)15-19(14-16)22(26)25(4)24(3,23(27)28-5)20-10-8-18(9-11-20)21-7-6-12-29-21/h6-15H,1-5H3/t24-/m1/s1
InChIKeyIWHKTQPGFSFPAX-XMMPIXPASA-N
MW391.47 g/mol
LogP4.72
Rot. Bonds5

About methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate

methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate (PubChem CID 18663480) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate
PubChem CID18663480
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namemethyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate
SMILESCOC(=O)[C@@](C)(c1ccc(-c2ccco2)cc1)N(C)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C24H25NO4/c1-16-13-17(2)15-19(14-16)22(26)25(4)24(3,23(27)28-5)20-10-8-18(9-11-20)21-7-6-12-29-21/h6-15H,1-5H3/t24-/m1/s1
InChIKeyIWHKTQPGFSFPAX-XMMPIXPASA-N
XLogP4.72
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-thiophen-2-ylpropanoate
CID 18663502
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
4-(furan-2-yl)-N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 121269426
methyl N-[4-(furan-2-yl)phenyl]carbamate
CID 168528272
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167
4-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-N-methylbenzamide
CID 121269395
methyl 2-[4-(furan-2-yl)phenyl]acetate
CID 168524506
2-[4-(furan-2-yl)phenoxy]-2-methylpropanoic acid
CID 878489
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
4-(furan-2-yl)benzoyl chloride
CID 7537504

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate?
The IUPAC name of methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate (CID 18663480) is methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate?
The canonical SMILES for methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate is COC(=O)[C@@](C)(c1ccc(-c2ccco2)cc1)N(C)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate?
The InChIKey is IWHKTQPGFSFPAX-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25NO4/c1-16-13-17(2)15-19(14-16)22(26)25(4)24(3,23(27)28-5)20-10-8-18(9-11-20)21-7-6-12-29-21/h6-15H,1-5H3/t24-/m1/s1.
What are the key properties of methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate?
methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate has a molecular weight of 391.47 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-[4-(furan-2-yl)phenyl]propanoate is sourced from PubChem (CID 18663480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).