methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate

C23H23NO4 — CID 59654833

IUPACmethyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccc(-c3ccc(C(C)C)cc3)o2)c1
InChIInChI=1S/C23H23NO4/c1-15(2)17-7-9-18(10-8-17)20-11-12-21(28-20)23(26)24-19-6-4-5-16(13-19)14-22(25)27-3/h4-13,15H,14H2,1-3H3,(H,24,26)
InChIKeyQWLPIKSIYPQFSS-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.04
Rot. Bonds6

About methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate

methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate (PubChem CID 59654833) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
PubChem CID59654833
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Namemethyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccc(-c3ccc(C(C)C)cc3)o2)c1
InChIInChI=1S/C23H23NO4/c1-15(2)17-7-9-18(10-8-17)20-11-12-21(28-20)23(26)24-19-6-4-5-16(13-19)14-22(25)27-3/h4-13,15H,14H2,1-3H3,(H,24,26)
InChIKeyQWLPIKSIYPQFSS-UHFFFAOYSA-N
XLogP5.04
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654703
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 177358680
2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
CID 59654716
methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
CID 20750206
methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
CID 70091613
5-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688533
5-(4-bromophenyl)-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17127606
3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670400

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate (CID 59654833) is methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate is COC(=O)Cc1cccc(NC(=O)c2ccc(-c3ccc(C(C)C)cc3)o2)c1.
What is the InChIKey of methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate?
The InChIKey is QWLPIKSIYPQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15(2)17-7-9-18(10-8-17)20-11-12-21(28-20)23(26)24-19-6-4-5-16(13-19)14-22(25)27-3/h4-13,15H,14H2,1-3H3,(H,24,26).
What are the key properties of methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate?
methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate has a molecular weight of 377.44 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 59654833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).