methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate

C24H23N3O2 — CID 44547031

IUPACmethyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate
SMILESCOC(=O)[C@H](C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
InChIInChI=1S/C24H23N3O2/c1-17(24(28)29-2)23(27-14-13-25-16-27)19-8-10-21(11-9-19)26-22-12-7-18-5-3-4-6-20(18)15-22/h3-17,23,26H,1-2H3/t17-,23-/m1/s1
InChIKeyUJBIWWFQIGDZPI-UZUQRXQVSA-N
MW385.47 g/mol
LogP5.18
Rot. Bonds6

About methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate

methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate (PubChem CID 44547031) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate
PubChem CID44547031
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Namemethyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate
SMILESCOC(=O)[C@H](C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
InChIInChI=1S/C24H23N3O2/c1-17(24(28)29-2)23(27-14-13-25-16-27)19-8-10-21(11-9-19)26-22-12-7-18-5-3-4-6-20(18)15-22/h3-17,23,26H,1-2H3/t17-,23-/m1/s1
InChIKeyUJBIWWFQIGDZPI-UZUQRXQVSA-N
XLogP5.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate
CID 44547183
Dimethyl 4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10429032
Methyl 5-acetyl-4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 11725497
Methyl anti-3-(1h-1-imidazolyl)-3-[4-(2-naphthylamino)phenyl]-2-methylpropanoate
CID 44547030
3-Imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoic acid
CID 44547182
Propan-2-yl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate
CID 44547184
Butyl 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate
CID 44547185
3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-N-propan-2-ylpropanamide
CID 44547186
3-Imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
CID 44547187
3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
CID 44547331
3-imidazol-1-yl-N,N,2,2-tetramethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
CID 44547332
3-Imidazol-1-yl-3-[4-(6-methoxy-naphthalen-2-ylamino)-phenyl]-2,2-dimethyl-propionic acid methyl ester
CID 44547333

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate?
The IUPAC name of methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate (CID 44547031) is methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate.
What is the SMILES notation for methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate?
The canonical SMILES for methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate is COC(=O)[C@H](C)[C@H](c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1.
What is the InChIKey of methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate?
The InChIKey is UJBIWWFQIGDZPI-UZUQRXQVSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17(24(28)29-2)23(27-14-13-25-16-27)19-8-10-21(11-9-19)26-22-12-7-18-5-3-4-6-20(18)15-22/h3-17,23,26H,1-2H3/t17-,23-/m1/s1.
What are the key properties of methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate?
methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate has a molecular weight of 385.47 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-imidazol-1-yl-2-methyl-3-[4-(naphthalen-2-ylamino)phenyl]propanoate is sourced from PubChem (CID 44547031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).